Molecule

ID:27260

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₄O
Molecular Mass
264.28198
Exact Mass
264.10111102
Charge
0
InChI
InChI=1S/C15H12N4O/c16-19-15(20)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,16H2,(H,19,20)
InChIKey
QHPOWUMRPBEPNV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccccn1
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ncccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.616765
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8843504
LogD (pH = 7.4)
1.8862938
Log P
1.8863187
Molar Refractivity
75.7771
Polarizability
31.325817
Polar Surface Area
80.9
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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