Molecule

ID:116848

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-17-9-13(18)16-14(15(17)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,18)
InChIKey
SAPXQAWBFJBNDZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C)C(=O)C(N1)c1cccc2c1cccc2
Isomeric Smiles
C1(C(=O)N(CC(=O)N1)C)c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
11.097575
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9390148
LogD (pH = 7.4)
0.93893856
Log P
0.93901575
Molar Refractivity
71.3118
Polarizability
28.72642
Polar Surface Area
49.41
Rotatable Bonds
1
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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