Molecule

ID:14237

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-13-5-8(11(15)16)10(14)7-3-2-6(12)4-9(7)13/h2-5H,1H3,(H,15,16)
InChIKey
UEZCMDFHCHWUFM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)n(C)cc(c2=O)C(=O)O
Isomeric Smiles
c12c(n(cc(c1=O)C(=O)O)C)cc(cc2)Cl
Calculated Properties
JChem
Acid pKa
5.7806015
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7942092
LogD (pH = 7.4)
0.35275218
Log P
1.9771501
Molar Refractivity
60.1326
Polarizability
22.220686
Polar Surface Area
57.61
Rotatable Bonds
1
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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