Molecule

ID:56375

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNOS
Molecular Mass
301.79058
Exact Mass
301.03281269
Charge
0
InChI
InChI=1S/C16H12ClNOS/c1-9-3-5-13-11(7-9)12(16(17)19)8-14(18-13)15-6-4-10(2)20-15/h3-8H,1-2H3
InChIKey
BAYPUMRXYMXGSC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)C)c1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.291315
LogD (pH = 7.4)
5.291319
Log P
5.291319
Molar Refractivity
82.8456
Polarizability
33.84265
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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