Molecule

ID:80676

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNOS
Molecular Mass
223.67874
Exact Mass
222.9858625
Charge
0
InChI
InChI=1S/C10H6ClNOS/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
ZZFOIDMEHXGBKS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csc(n1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)scc1C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2335699
LogD (pH = 7.4)
3.2335718
Log P
3.2335718
Molar Refractivity
67.1107
Polarizability
22.162485
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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