Molecule

ID:35307

General Information
Structure
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-19-12-7-5-11(6-8-12)15-13(10-18)17-9-3-2-4-14(17)16-15/h2-10H,1H3
InChIKey
XWVNZBQGMNSCDV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nc2n(c1C=O)cccc2
Isomeric Smiles
n1c(c(n2c1cccc2)C=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2500365
LogD (pH = 7.4)
2.2672334
Log P
2.2674572
Molar Refractivity
73.6253
Polarizability
28.669662
Polar Surface Area
43.6
Rotatable Bonds
3
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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