Molecule

ID:58784

General Information
Structure
Molecular Formula
C₁₉H₁₅NO₂
Molecular Mass
289.3279
Exact Mass
289.11027873
Charge
0
InChI
InChI=1S/C19H15NO2/c21-18(15-7-2-1-3-8-15)13-19(22)20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,20,22)
InChIKey
DLMJDNNPONRGGS-UHFFFAOYSA-N
Canonic Smiles
O=C(CC(=O)c1ccccc1)Nc1ccc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cc2)NC(=O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.523957
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8469
LogD (pH = 7.4)
3.8468678
Log P
3.8469005
Molar Refractivity
87.5324
Polarizability
34.254124
Polar Surface Area
46.17
Rotatable Bonds
4
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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