Molecule

ID:11255

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃S
Molecular Mass
269.70412
Exact Mass
268.9913418
Charge
0
InChI
InChI=1S/C11H8ClNO3S/c12-9-6-3-1-2-4-7(6)17-10(9)11(16)13-5-8(14)15/h1-4H,5H2,(H,13,16)(H,14,15)
InChIKey
LLLITEMJLQKDAX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)c1sc2c(c1Cl)cccc2
Isomeric Smiles
c1(sc2c(c1Cl)cccc2)C(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.9164186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.54818034
LogD (pH = 7.4)
-1.0669775
Log P
2.1380544
Molar Refractivity
64.0467
Polarizability
25.519989
Polar Surface Area
66.4
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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