Molecule

ID:87017

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNS
Molecular Mass
183.65794
Exact Mass
182.99094788
Charge
0
InChI
InChI=1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChIKey
XTYLRVPBHHRTMS-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1C)Cl
Isomeric Smiles
N(=C=S)c1c(cc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1125355
LogD (pH = 7.4)
4.112537
Log P
4.112537
Molar Refractivity
52.9669
Polarizability
19.648195
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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