Molecule

ID:86972

General Information
Structure
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
WGXCKFMVBAOIFH-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc(c1)Cl
Isomeric Smiles
N(=C=S)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5991147
LogD (pH = 7.4)
3.5991156
Log P
3.5991156
Molar Refractivity
47.9257
Polarizability
17.885643
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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