Molecule

ID:108679

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₃NO₂
Molecular Mass
299.32272
Exact Mass
299.09462866
Charge
0
InChI
InChI=1S/C20H13NO2/c22-19-17-12-11-15(14-7-3-1-4-8-14)13-18(17)20(23)21(19)16-9-5-2-6-10-16/h1-13H
InChIKey
YHLROSXXDTWHBO-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccc(cc2C(=O)N1c1ccccc1)c1ccccc1
Isomeric Smiles
O=C1N(C(=O)c2c1ccc(c2)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.222283
LogD (pH = 7.4)
4.222283
Log P
4.222283
Molar Refractivity
89.1253
Polarizability
35.092945
Polar Surface Area
37.38
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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