Molecule

ID:41870

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₂
Molecular Mass
271.6984
Exact Mass
271.04000625
Charge
0
InChI
InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKey
WQRNPWUZAVBEBC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(c1ccccc1)c([nH]2)C(=O)O
Isomeric Smiles
c1(c(c2c([nH]1)ccc(c2)Cl)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5725036
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9789896
LogD (pH = 7.4)
0.54842585
Log P
3.900862
Molar Refractivity
74.2192
Polarizability
30.702177
Polar Surface Area
53.09
Rotatable Bonds
2
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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