Molecule
ID:121488
General Information
Molecular Formula
C₁₅H₁₂N₄O₃
Molecular Mass
296.28078
Exact Mass
296.09094026
Charge
0
InChI
InChI=1S/C15H12N4O3/c1-21-14-9-11(10-20)7-8-13(14)22-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
OEPJPTAWNNFNIP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1Oc1nnnn1c1ccccc1
Isomeric Smiles
c1(n(nnn1)c1ccccc1)Oc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.7500384
LogD (pH = 7.4)
2.7500384
Log P
2.7500384
Molar Refractivity
81.7542
Polarizability
30.417267
Polar Surface Area
79.13
Rotatable Bonds
5
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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