Molecule
ID:121888
General Information
Molecular Formula
C₂₀H₁₆N₂O
Molecular Mass
300.35384
Exact Mass
300.12626314
Charge
0
InChI
InChI=1S/C20H16N2O/c1-22-17-13-12-16(14-8-4-2-5-9-14)19(23)18(17)21-20(22)15-10-6-3-7-11-15/h2-13,23H,1H3
InChIKey
ZPMYHKHUAWDYJC-UHFFFAOYSA-N
Canonic Smiles
Cn1c(nc2c1ccc(c2O)c1ccccc1)c1ccccc1
Isomeric Smiles
n1c2c(n(c1c1ccccc1)C)ccc(c2O)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.01002
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.817142
LogD (pH = 7.4)
4.751654
Log P
4.85161
Molar Refractivity
102.0839
Polarizability
38.456005
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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