Molecule

ID:106717

General Information
Structure
MolImage
Molecular Formula
C₅H₄CuFeN₆O₃
Molecular Mass
315.51466
Exact Mass
314.89902302
Charge
0
InChI
InChI=1S/5CN.Cu.Fe.NO.2H2O/c5*1-2;;;1-2;;/h;;;;;;;;2*1H2/q5*-1;+2;+3;;;
InChIKey
MVBLMTCZWSPWBZ-UHFFFAOYSA-N
Canonic Smiles
N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].O=[N].O.O.[Fe+3].[Cu+2]
Isomeric Smiles
O.O.[Fe+3].[Cu+2].[N]=O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.3514
LogD (pH = 7.4)
-0.3514
Log P
-0.3514
Molar Refractivity
2.8858
Polarizability
1.69344
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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