Molecule
ID:88519
General Information
Molecular Formula
C₂₂H₁₂N₂O
Molecular Mass
320.34348
Exact Mass
320.09496301
Charge
0
InChI
InChI=1S/C22H12N2O/c25-22-16-10-2-6-13-5-1-9-15(19(13)16)21-23-17-11-3-7-14-8-4-12-18(20(14)17)24(21)22/h1-12H
InChIKey
NIDFGXDXQKPZMA-UHFFFAOYSA-N
Canonic Smiles
O=c1c2cccc3c2c(c2n1c1cccc4c1c(n2)ccc4)ccc3
Isomeric Smiles
n12c(=O)c3cccc4cccc(c34)c1nc1cccc3cccc2c13
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5149536
LogD (pH = 7.4)
4.514957
Log P
4.514957
Molar Refractivity
99.5771
Polarizability
39.17871
Polar Surface Area
32.67
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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