Molecule

ID:85778

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NS
Molecular Mass
204.07642
Exact Mass
202.93632546
Charge
0
InChI
InChI=1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey
JLEMKZDHFGCHLO-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cc(Cl)cc(c1)Cl
Isomeric Smiles
N(=C=S)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.20316
LogD (pH = 7.4)
4.2031603
Log P
4.2031603
Molar Refractivity
52.7305
Polarizability
19.777292
Polar Surface Area
12.36
Rotatable Bonds
1
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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