Molecule

ID:129243

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂CrN₇OS₄
Molecular Mass
354.44048
Exact Mass
353.93912454
Charge
0
InChI
InChI=1S/4CNS.Cr.3H3N.H2O/c4*2-1-3;;;;;/h;;;;;3*1H3;1H2/q4*-1;+3;;;;/p+1
InChIKey
GXUDINOISGOIAV-UHFFFAOYSA-O
Canonic Smiles
[NH3+][Cr-3](N=C=S)(N=C=S)(N=C=S)(N=C=S)[NH3+].[NH4+].O
Isomeric Smiles
[NH4+].S=C=N[Cr-3]([NH3+])([NH3+])(N=C=S)(N=C=S)N=C=S.O
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.7506695
LogD (pH = 7.4)
4.223402
Log P
4.2344
Molar Refractivity
93.5594
Polarizability
30.878105
Polar Surface Area
104.72
Rotatable Bonds
4
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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