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Showing NP-Card for Copper iodide (NP0334829)

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Record Information
Version2.0
Created at2024-09-10 22:40:18 UTC
Updated at2024-09-10 22:40:18 UTC
NP-MRD IDNP0334829
Secondary Accession NumbersNone
Natural Product Identification
Common NameCopper iodide
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334829 (Copper iodide)


  Mrv0541 02241205062D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
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3D MOL for NP0334829 (Copper iodide)

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3D SDF for NP0334829 (Copper iodide)

  Mrv0541 02241205062D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0334829

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Cu]I

> <INCHI_IDENTIFIER>
InChI=1S/Cu.HI/h;1H/q+1;/p-1

> <INCHI_KEY>
LSXDOTMGLUJQCM-UHFFFAOYSA-M

> <FORMULA>
CuI

> <MOLECULAR_WEIGHT>
190.45

> <EXACT_MASS>
189.834069499

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.125191225137738

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iodocopper

> <JCHEM_LOGP>
0.18359999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.3408

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
copper(I) iodide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334829 (Copper iodide)
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PDB for NP0334829 (Copper iodide)
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 Cu   UNK     0       1.540   0.000   0.000  0.00  0.00          Cu+0
HETATM    2  I   UNK     0       0.000   0.000   0.000  0.00  0.00           I+0
CONECT    1    2                                                            
CONECT    2    1                                                            
MASTER        0    0    0    0    0    0    0    0    2    0    2    0
END

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3D PDB for NP0334829 (Copper iodide)
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SMILES for NP0334829 (Copper iodide)
[Cu]I
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INCHI for NP0334829 (Copper iodide)
InChI=1S/Cu.HI/h;1H/q+1;/p-1
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View in JSmol
Synonyms
ValueSource
Copper (I) iodideMeSH
Cuprous iodideMeSH
Chemical FormulaCuI
Average Mass190.4500 Da
Monoisotopic Mass189.83407 Da
IUPAC Nameiodocopper
Traditional Namecopper(I) iodide
CAS Registry NumberNot Available
SMILES
[Cu]I
InChI Identifier
InChI=1S/Cu.HI/h;1H/q+1;/p-1
InChI KeyLSXDOTMGLUJQCM-UHFFFAOYSA-M
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 iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is a transition metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassTransition metal salts  
Sub ClassTransition metal iodides  
Direct ParentTransition metal iodides  
Alternative Parents
Substituents
  • Transition metal iodide
    • 

  • 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
logP0.18ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.34 m³·mol⁻¹ChemAxon
Polarizability7.13 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 IDFDB016753  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCopper(I) iodide  
METLIN IDNot Available
PubChem Compound24350  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available