Molecule

ID:87966

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNOS
Molecular Mass
299.7747
Exact Mass
299.01716263
Charge
0
InChI
InChI=1S/C16H10ClNOS/c17-15(19)14-13(11-7-3-1-4-8-11)18-16(20-14)12-9-5-2-6-10-12/h1-10H
InChIKey
DHGZZGFKARJISD-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc(nc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)sc(c1c1ccccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0132356
LogD (pH = 7.4)
5.0132365
Log P
5.0132365
Molar Refractivity
92.031
Polarizability
33.107655
Polar Surface Area
29.96
Rotatable Bonds
3
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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