Molecule

ID:27508

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₂S
Molecular Mass
279.742
Exact Mass
279.01207725
Charge
0
InChI
InChI=1S/C13H10ClNO2S/c1-8(16)9-3-2-4-10(7-9)15-13(17)11-5-6-12(14)18-11/h2-7H,1H3,(H,15,17)
InChIKey
HDSHZLZMDAJJQD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)C(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
c1(sc(cc1)Cl)C(=O)Nc1cc(C(=O)C)ccc1
Calculated Properties
JChem
Acid pKa
9.846654
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3056817
LogD (pH = 7.4)
3.3042274
Log P
3.3057
Molar Refractivity
72.8489
Polarizability
27.315512
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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