Molecule

ID:42314

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c14-10-6-11(13(17)18)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKey
HPIOWOMSNUANFN-UHFFFAOYSA-N
Canonic Smiles
Clc1cn(Cc2ccccc2)c(=O)c(c1)C(=O)O
Isomeric Smiles
c1(c(=O)n(cc(c1)Cl)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9919908
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.54367775
LogD (pH = 7.4)
-1.1027954
Log P
2.0608506
Molar Refractivity
68.3451
Polarizability
25.608442
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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