Molecule

ID:40871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNOS
Molecular Mass
239.7212
Exact Mass
239.01716263
Charge
0
InChI
InChI=1S/C11H10ClNOS/c1-7-10(6-14)15-11(13-7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3
InChIKey
QUSDORIJKAETMR-UHFFFAOYSA-N
Canonic Smiles
OCc1sc(nc1C)c1ccc(cc1)Cl
Isomeric Smiles
n1c(sc(c1C)CO)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.20306
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.757177
LogD (pH = 7.4)
2.7573116
Log P
2.7573133
Molar Refractivity
72.3643
Polarizability
24.469986
Polar Surface Area
33.12
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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