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Showing NP-Card for KLMCZVJOEAUDNE-UHFFFAOYSA-N (NP0338582)

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Record Information
Version2.0
Created at2024-09-11 16:11:26 UTC
Updated at2024-09-11 16:11:26 UTC
NP-MRD IDNP0338582
Secondary Accession NumbersNone
Natural Product Identification
Common NameKLMCZVJOEAUDNE-UHFFFAOYSA-N
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)


  Mrv0541 02241221382D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fr  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D MOL for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)

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3D SDF for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)

  Mrv0541 02241221382D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fr  0  0  0  0  0 15  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0338582

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Fr]

> <INCHI_IDENTIFIER>
InChI=1S/Fr

> <INCHI_KEY>
KLMCZVJOEAUDNE-UHFFFAOYSA-N

> <FORMULA>
Fr

> <MOLECULAR_WEIGHT>
223.0

> <EXACT_MASS>
223.0

> <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>
francium

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
francium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)
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PDB for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)
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 Fr   UNK     0       0.000   0.000   0.000  0.00  0.00          Fr+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)
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SMILES for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)
[Fr]
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INCHI for NP0338582 (KLMCZVJOEAUDNE-UHFFFAOYSA-N)
InChI=1S/Fr
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View in JSmol
Synonyms
ValueSource
87FRChEBI
FrancioChEBI
FranciumChEBI
FranziumChEBI
FrChEBI
Chemical FormulaFr
Average Mass223.0000 Da
Monoisotopic Mass223.00000 Da
IUPAC Namefrancium
Traditional Namefrancium
CAS Registry NumberNot Available
SMILES
[Fr]
InChI Identifier
InChI=1S/Fr
InChI KeyKLMCZVJOEAUDNE-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 homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous alkali metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous alkali metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous alkali metal
Molecular FrameworkNot Available
External Descriptors
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
logP0ChemAxon
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 IDFDB007486  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFR  
METLIN IDNot Available
PubChem Compound6328145  
PDB IDNot Available
ChEBI ID33323  
Good Scents IDNot Available
References
General ReferencesNot Available