Molecule

ID:40420

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c14-11-6-2-1-4-9(11)8-15-7-3-5-10(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKey
IMCXRWVIOONIMQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Cn1cccc(c1=O)C(=O)O
Isomeric Smiles
c1(c(=O)n(Cc2c(Cl)cccc2)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8261716
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.47937664
LogD (pH = 7.4)
-1.0938689
Log P
2.1562989
Molar Refractivity
68.4337
Polarizability
25.643066
Polar Surface Area
57.61
Rotatable Bonds
3
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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