Molecule

ID:105359

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c14-7-3-4-8-9(5-7)15-13(18)10(12(8)17)11(16)6-1-2-6/h3-6H,1-2H2,(H2,15,17,18)
InChIKey
MXEFWCFPCLDOOG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)[nH]c(=O)c(c2O)C(=O)C1CC1
Isomeric Smiles
Oc1c(c(=O)[nH]c2c1ccc(Cl)c2)C(=O)C1CC1
Calculated Properties
JChem
Acid pKa
5.637691
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9071538
LogD (pH = 7.4)
0.4102492
Log P
2.144305
Molar Refractivity
69.0009
Polarizability
25.403019
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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