Molecule

ID:33925

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₄O₂
Molecular Mass
282.29726
Exact Mass
282.11167571
Charge
0
InChI
InChI=1S/C15H14N4O2/c1-21-13-9-5-4-8-12(13)19-14(20)10-6-2-3-7-11(10)17-15(19)18-16/h2-9H,16H2,1H3,(H,17,18)
InChIKey
KOHCQLVTSJJKOQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1n1c(NN)nc2c(c1=O)cccc2
Isomeric Smiles
n1(c(nc2c(c1=O)cccc2)NN)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8847741
LogD (pH = 7.4)
1.9879279
Log P
1.9893825
Molar Refractivity
92.3031
Polarizability
29.833303
Polar Surface Area
79.95
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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