Molecule

ID:81717

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₂S
Molecular Mass
293.76858
Exact Mass
293.02772731
Charge
0
InChI
InChI=1S/C14H12ClNO2S/c1-9-8-19-14(16-11(17)7-15)12(9)13(18)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKey
XXUUOLQYCCNPHS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1scc(c1C(=O)c1ccccc1)C
Isomeric Smiles
s1c(c(C(=O)c2ccccc2)c(c1)C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.140341
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.317503
LogD (pH = 7.4)
4.316763
Log P
4.3175125
Molar Refractivity
77.5566
Polarizability
29.142855
Polar Surface Area
46.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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