Molecule

ID:64642

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNS
Molecular Mass
183.65794
Exact Mass
182.99094788
Charge
0
InChI
InChI=1S/C8H6ClNS/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
InChIKey
JMWVYCBWLOCZAB-UHFFFAOYSA-N
Canonic Smiles
Cc1sc2c(c1)c(Cl)ncc2
Isomeric Smiles
c1cnc(c2c1sc(c2)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1016793
LogD (pH = 7.4)
3.1016808
Log P
3.1016808
Molar Refractivity
48.1636
Polarizability
19.294853
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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