Molecule

ID:25608

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂NO₂S
Molecular Mass
324.18188
Exact Mass
322.95745483
Charge
0
InChI
InChI=1S/C14H7Cl2NO2S/c15-9-3-1-2-7-8(14(18)19)6-10(17-13(7)9)11-4-5-12(16)20-11/h1-6H,(H,18,19)
InChIKey
IVDUXZMSPIJFDB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1cc(C(=O)O)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1sc(cc1)Cl)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.5588393
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0377476
LogD (pH = 7.4)
1.6158268
Log P
4.9727926
Molar Refractivity
77.6591
Polarizability
32.7055
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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