Molecule

ID:114736

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-6-8(5-10(14)15)7-3-2-4-9(12)11(7)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
OAQUVRVTNMDKGG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(C)[nH]c2c1cccc2Cl
Isomeric Smiles
[nH]1c(c(c2c1c(Cl)ccc2)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.27742
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.267655
LogD (pH = 7.4)
-0.46595475
Log P
2.5133622
Molar Refractivity
58.4066
Polarizability
23.364826
Polar Surface Area
53.09
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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