Molecule

ID:74590

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₃
Molecular Mass
289.71368
Exact Mass
289.05057093
Charge
0
InChI
InChI=1S/C15H12ClNO3/c16-11-5-3-6-12(9-11)17-15(20)13-7-2-1-4-10(13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKey
RBOJNYKJGWNZMI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1C(=O)Nc1cccc(c1)Cl
Isomeric Smiles
N(c1cccc(c1)Cl)C(=O)c1ccccc1CC(=O)O
Calculated Properties
JChem
Acid pKa
3.759015
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5651349
LogD (pH = 7.4)
0.02614789
Log P
3.3069236
Molar Refractivity
77.7039
Polarizability
29.019659
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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