Molecule

ID:124165

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃
Molecular Mass
251.6657
Exact Mass
251.03492087
Charge
0
InChI
InChI=1S/C12H10ClNO3/c1-17-12(16)7-14-5-4-11(15)9-6-8(13)2-3-10(9)14/h2-6H,7H2,1H3
InChIKey
XJJMQPAJFPCYDX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1ccc(=O)c2c1ccc(c2)Cl
Isomeric Smiles
n1(c2c(c(=O)cc1)cc(cc2)Cl)CC(=O)OC
Calculated Properties
JChem
Acid pKa
16.54031
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0137844
LogD (pH = 7.4)
2.0137844
Log P
2.0137844
Molar Refractivity
64.912
Polarizability
24.28182
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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