Molecule

ID:106971

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀CrN₇S₄
Molecular Mass
336.4252
Exact Mass
335.92855986
Charge
0
InChI
InChI=1S/4CNS.Cr.3H3N/c4*2-1-3;;;;/h;;;;;3*1H3/q4*-1;+3;;;/p+1
InChIKey
MWPIDCLCFRVBQI-UHFFFAOYSA-O
Canonic Smiles
[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.N.N.[NH4+].[Cr+3]
Isomeric Smiles
N.N.[NH4+].[Cr+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.84597397
LogD (pH = 7.4)
0.84597397
Log P
0.84597397
Molar Refractivity
14.3753
Polarizability
6.057175
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation