Molecule
ID:84145
General Information
Molecular Formula
C₁₉H₁₄ClNO₄S
Molecular Mass
387.83676
Exact Mass
387.03320661
Charge
0
InChI
InChI=1S/C19H14ClNO4S/c20-15-5-1-13(2-6-15)18(22)11-7-16-8-12-19(25-16)14-3-9-17(10-4-14)26(21,23)24/h1-12H,(H2,21,23,24)
InChIKey
VIQGXPOPASUKRN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)c1ccc(o1)/C=C/C(=O)c1ccc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
10.038593
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7278628
LogD (pH = 7.4)
3.7269907
Log P
3.7278738
Molar Refractivity
101.2443
Polarizability
40.29047
Polar Surface Area
90.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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