Molecule

ID:30374

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-6-8-5-7(12)3-4-9(8)13(2)10(6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKey
YWHLWJBYLZEDNM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(C)c(n2C)C(=O)O
Isomeric Smiles
n1(c(c(c2c1ccc(c2)Cl)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2367265
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7480114
LogD (pH = 7.4)
-0.44801965
Log P
2.9907339
Molar Refractivity
59.0209
Polarizability
23.25599
Polar Surface Area
42.23
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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