Molecule

ID:112224

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNS
Molecular Mass
183.65794
Exact Mass
182.99094788
Charge
0
InChI
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
XCALAYIRFYALSX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(s2)C
Isomeric Smiles
Cc1nc2cc(Cl)ccc2s1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.839846
LogD (pH = 7.4)
2.8405719
Log P
2.8405812
Molar Refractivity
46.3742
Polarizability
19.241756
Polar Surface Area
12.89
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
References
Bioactivity
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