Molecule

ID:25378

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₂S
Molecular Mass
303.7634
Exact Mass
303.01207725
Charge
0
InChI
InChI=1S/C15H10ClNO2S/c1-8-3-2-4-9-10(15(18)19)7-11(17-14(8)9)12-5-6-13(16)20-12/h2-7H,1H3,(H,18,19)
InChIKey
BPTQIPPZBBTIKY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1sc(cc1)Cl)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.574796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9623792
LogD (pH = 7.4)
1.5304557
Log P
4.8821692
Molar Refractivity
77.8955
Polarizability
32.57041
Polar Surface Area
50.19
Rotatable Bonds
2
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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