Molecule

ID:60116

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNOS
Molecular Mass
223.67874
Exact Mass
222.9858625
Charge
0
InChI
InChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-6H
InChIKey
YGKCTNFJQOTDSJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1scc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(csc1C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6478982
LogD (pH = 7.4)
3.647899
Log P
3.647899
Molar Refractivity
56.8834
Polarizability
22.830444
Polar Surface Area
29.96
Rotatable Bonds
2
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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