Molecule

ID:40617

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKey
UTHKVSFOOCIQAL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Cn1cc(ccc1=O)C(=O)O
Isomeric Smiles
c1(cn(c(=O)cc1)Cc1c(Cl)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4080284
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.075785264
LogD (pH = 7.4)
-1.3967628
Log P
2.0041096
Molar Refractivity
68.3586
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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