Molecule

ID:134859

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₃O
Molecular Mass
249.26734
Exact Mass
249.09021199
Charge
0
InChI
InChI=1S/C15H11N3O/c19-15(11-10-12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16-17-18/h1-11H
InChIKey
OYYVHLPZRRNXJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(n1nnc2c1cccc2)/C=C/c1ccccc1
Isomeric Smiles
c1ccc(cc1)/C=C/C(=O)n1c2ccccc2nn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9805229
LogD (pH = 7.4)
2.9805233
Log P
2.9805233
Molar Refractivity
73.7446
Polarizability
28.820078
Polar Surface Area
47.78
Rotatable Bonds
2
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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