Molecule

ID:56449

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNOS
Molecular Mass
301.79058
Exact Mass
301.03281269
Charge
0
InChI
InChI=1S/C16H12ClNOS/c1-9-6-10(2)15-11(7-9)12(16(17)19)8-13(18-15)14-4-3-5-20-14/h3-8H,1-2H3
InChIKey
QRXDGMQQTPIIRX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1cccs1)C(=O)Cl
Isomeric Smiles
n1c2c(c(cc1c1sccc1)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1588764
LogD (pH = 7.4)
5.1588793
Log P
5.1588798
Molar Refractivity
82.8305
Polarizability
33.846638
Polar Surface Area
29.96
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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