Molecule

ID:41596

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃
Molecular Mass
263.6764
Exact Mass
263.03492087
Charge
0
InChI
InChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-15-6-2-5-11(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKey
BYNRGIVNDGYPAO-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)Cn1cccc(c1=O)C(=O)O
Isomeric Smiles
c1(c(=O)n(Cc2cc(Cl)ccc2)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8264763
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.47967076
LogD (pH = 7.4)
-1.0937244
Log P
2.1562989
Molar Refractivity
68.4337
Polarizability
25.639175
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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