Molecule

ID:18235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKey
UVEPOHNXGXVOJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1noc(c1C(=O)O)C
Isomeric Smiles
c1(c(c(on1)C)C(=O)O)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
3.9202995
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2458982
LogD (pH = 7.4)
-0.3709415
Log P
2.8320558
Molar Refractivity
59.4749
Polarizability
23.276154
Polar Surface Area
63.33
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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