Molecule

ID:121437

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄N₂O
Molecular Mass
286.32726
Exact Mass
286.11061308
Charge
0
InChI
InChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKey
IANOMZFWVQGEPK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)c1ccc(cc1)c1ccccc1
Isomeric Smiles
n1c(oc2c1cc(N)cc2)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.161614
LogD (pH = 7.4)
4.1629186
Log P
4.1629353
Molar Refractivity
97.6613
Polarizability
36.389484
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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