Molecule

ID:60056

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c19-15-12-8-4-5-9-13(12)17-16(20)14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKey
IOYQGXYNQRRATP-CQSZACIVSA-N
Canonic Smiles
O=C1Nc2ccccc2C(=O)N[C@@H]1Cc1ccccc1
Isomeric Smiles
C1(=O)N[C@@H](C(=O)Nc2c1cccc2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
12.022797
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.861692
LogD (pH = 7.4)
2.8616824
Log P
2.8616922
Molar Refractivity
77.4499
Polarizability
28.74474
Polar Surface Area
58.2
Rotatable Bonds
2
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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