Molecule

ID:60611

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9,14,16H,1H3,(H,17,18)
InChIKey
IHUCRSMGSNYTLO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1C(=O)Nc2c1cccc2
Isomeric Smiles
N1C(=O)C(c2c1cccc2)Nc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
12.620721
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1636424
LogD (pH = 7.4)
2.1638167
Log P
2.1638215
Molar Refractivity
75.3768
Polarizability
27.722328
Polar Surface Area
50.36
Rotatable Bonds
3
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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