Molecule

ID:124164

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c12-7-1-2-9-8(5-7)10(14)3-4-13(9)6-11(15)16/h1-5H,6H2,(H,15,16)
InChIKey
OSKRBFDXIATJKW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ccc(=O)c2c1ccc(c2)Cl
Isomeric Smiles
n1(c2c(c(=O)cc1)cc(cc2)Cl)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6348042
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.0060835215
LogD (pH = 7.4)
-1.4626981
Log P
1.8678904
Molar Refractivity
60.1429
Polarizability
22.215073
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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