Molecule

ID:43353

General Information
Structure
Molecular Formula
C₁₅H₁₀ClNOS
Molecular Mass
287.764
Exact Mass
287.01716263
Charge
0
InChI
InChI=1S/C15H10ClNOS/c16-12-8-6-11(7-9-12)15-17-14(18)13(19-15)10-4-2-1-3-5-10/h1-9,18H
InChIKey
WDDKDLCXHLBIGY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nc(c(s1)c1ccccc1)O
Isomeric Smiles
n1c(c(sc1c1ccc(cc1)Cl)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
9.966538
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1956625
LogD (pH = 7.4)
5.1945333
Log P
5.1956773
Molar Refractivity
88.3875
Polarizability
31.806986
Polar Surface Area
33.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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