Molecule

ID:129203

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)
InChIKey
BZEPQNMASTUAMY-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(N1)C(=O)Nc1ccc2c(c1)cccc2
Isomeric Smiles
O=C(Nc1cc2ccccc2cc1)C1NC(=O)CC1
Calculated Properties
JChem
Acid pKa
11.574959
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5341086
LogD (pH = 7.4)
1.5340832
Log P
1.534109
Molar Refractivity
72.8153
Polarizability
28.718498
Polar Surface Area
58.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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