Molecule
ID:87986
General Information
Molecular Formula
C₁₈H₁₀N₂O
Molecular Mass
270.2848
Exact Mass
270.07931295
Charge
0
InChI
InChI=1S/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H
InChIKey
NZBSAAMEZYOGBA-UHFFFAOYSA-N
Canonic Smiles
O=c1c2cccc3c2c(c2n1c1ccccc1n2)ccc3
Isomeric Smiles
n1c2c3cccc4c3c(ccc4)c(=O)n2c2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4744885
LogD (pH = 7.4)
3.4744887
Log P
3.4744887
Molar Refractivity
90.4031
Polarizability
33.755432
Polar Surface Area
34.89
Rotatable Bonds
0
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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