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Showing NP-Card for Manganese oxide (MnO) (NP0337459)

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Record Information
Version2.0
Created at2024-09-11 10:57:16 UTC
Updated at2024-09-11 10:57:16 UTC
NP-MRD IDNP0337459
Secondary Accession NumbersNone
Natural Product Identification
Common NameManganese oxide (MnO)
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337459 (Manganese oxide (MnO))


  Mrv0541 02241217312D          

  2  0  0  0  0  0            999 V2000
    0.0000  -68.9429    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   68.9429    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   2   2  -2
M  END
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3D MOL for NP0337459 (Manganese oxide (MnO))

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3D SDF for NP0337459 (Manganese oxide (MnO))

  Mrv0541 02241217312D          

  2  0  0  0  0  0            999 V2000
    0.0000  -68.9429    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   68.9429    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   2   2  -2
M  END
> <DATABASE_ID>
NP0337459

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[O--].[Mn++]

> <INCHI_IDENTIFIER>
InChI=1S/Mn.O/q+2;-2

> <INCHI_KEY>
PPNAOCWZXJOHFK-UHFFFAOYSA-N

> <FORMULA>
MnO

> <MOLECULAR_WEIGHT>
70.9374

> <EXACT_MASS>
70.932964258

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) ion oxidandiide

> <JCHEM_LOGP>
-0.156

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese(2+) ion oxidandiide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337459 (Manganese oxide (MnO))
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PDB for NP0337459 (Manganese oxide (MnO))
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Mn   UNK     0       0.000-128.693   0.000  0.00  0.00          Mn+2
HETATM    2  O   UNK     0       0.000 128.693   0.000  0.00  0.00           O-2
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0337459 (Manganese oxide (MnO))
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SMILES for NP0337459 (Manganese oxide (MnO))
[O--].[Mn++]
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INCHI for NP0337459 (Manganese oxide (MnO))
InChI=1S/Mn.O/q+2;-2
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SynonymsNot Available
Chemical FormulaMnO
Average Mass70.9374 Da
Monoisotopic Mass70.93296 Da
IUPAC Namemanganese(2+) ion oxidandiide
Traditional Namemanganese(2+) ion oxidandiide
CAS Registry NumberNot Available
SMILES
[O--].[Mn++]
InChI Identifier
InChI=1S/Mn.O/q+2;-2
InChI KeyPPNAOCWZXJOHFK-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassTransition metal organides  
Sub ClassTransition metal oxides  
Direct ParentTransition metal oxides  
Alternative Parents
Substituents
  • Transition metal oxide
    • 

  • Inorganic oxide
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015287  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available