Molecule

ID:34077

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-20-14-4-5-16-15(7-14)13(11-19)10-18(16)9-12-3-2-6-17-8-12/h2-8,10-11H,9H2,1H3
InChIKey
CQUJUVLPIAMPHZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(OC)cc2)Cc1cccnc1
Isomeric Smiles
c1cc(cc2c1n(cc2C=O)Cc1cccnc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1871424
LogD (pH = 7.4)
2.3545501
Log P
2.3573155
Molar Refractivity
77.5441
Polarizability
30.420122
Polar Surface Area
44.12
Rotatable Bonds
4
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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