Molecule

ID:56145

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₃
Molecular Mass
275.6871
Exact Mass
275.03492087
Charge
0
InChI
InChI=1S/C14H10ClNO3/c15-11-6-4-9(5-7-11)13(17)16-12-3-1-2-10(8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
UHVKLYDBKWHXJN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)Nc1cccc(C(=O)O)c1
Calculated Properties
JChem
Acid pKa
3.9185357
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.738924
LogD (pH = 7.4)
0.122841805
Log P
3.3267581
Molar Refractivity
73.6525
Polarizability
27.16522
Polar Surface Area
66.4
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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