Molecule

ID:59284

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃S
Molecular Mass
269.70412
Exact Mass
268.9913418
Charge
0
InChI
InChI=1S/C11H8ClNO3S/c1-6-9(10(14)15)17-11(13-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15)
InChIKey
JFTPBEZDYSGECQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Oc1nc(c(s1)C(=O)O)C
Isomeric Smiles
n1c(Oc2ccccc2Cl)sc(c1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0633032
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.93744963
LogD (pH = 7.4)
-0.12456633
Log P
3.342013
Molar Refractivity
63.4171
Polarizability
24.581373
Polar Surface Area
59.42
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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