Molecule

ID:7366

General Information
Structure
Molecular Formula
C₉H₇ClS
Molecular Mass
182.66988
Exact Mass
181.9956989
Charge
0
InChI
InChI=1S/C9H7ClS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKey
UWDQVEPXORTQFO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(C)cs2
Isomeric Smiles
c1(C)c2c(sc1)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9667368
LogD (pH = 7.4)
3.9667368
Log P
3.9667368
Molar Refractivity
49.2441
Polarizability
20.113106
Polar Surface Area
0.0
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
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References
Bioactivity
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