Molecule

ID:84186

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₄O₂
Molecular Mass
254.2441
Exact Mass
254.08037558
Charge
0
InChI
InChI=1S/C13H10N4O2/c18-17-13-8-10(6-7-12(13)16-19-17)9-14-15-11-4-2-1-3-5-11/h1-9,15H
InChIKey
RLKAWHAKDPIYSO-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1onc2c1cc(/C=N/Nc1ccccc1)cc2
Isomeric Smiles
[n+]1(c2c(no1)ccc(c2)/C=N/Nc1ccccc1)[O-]
Calculated Properties
JChem
Acid pKa
17.238451
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.7662158
LogD (pH = 7.4)
2.8368666
Log P
2.8406
Molar Refractivity
93.7569
Polarizability
26.737453
Polar Surface Area
75.88
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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