Molecule
ID:124476
General Information
Molecular Formula
C₁₅H₁₂ClNO₂S
Molecular Mass
305.77928
Exact Mass
305.02772731
Charge
0
InChI
InChI=1S/C15H12ClNO2S/c16-10-9-15(18)17-11-5-1-3-7-13(11)20(19)14-8-4-2-6-12(14)17/h1-8H,9-10H2
InChIKey
YNDKGSVLIXZIPX-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)N1c2ccccc2S(=O)c2c1cccc2
Isomeric Smiles
S1(=O)c2c(N(c3c1cccc3)C(=O)CCCl)cccc2
Calculated Properties
JChem
Acid pKa
17.629349
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3486989
LogD (pH = 7.4)
2.3486989
Log P
2.3486989
Molar Refractivity
81.2649
Polarizability
31.47993
Polar Surface Area
37.38
Rotatable Bonds
2
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
No Data Available
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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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