Molecule

ID:121741

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄
Molecular Mass
174.2025
Exact Mass
174.09054634
Charge
0
InChI
InChI=1S/C9H10N4/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7/h1-6H,11H2,(H2,10,12)
InChIKey
PDRGDRQVKOPWFY-UHFFFAOYSA-N
Canonic Smiles
Nn1cc(nc1N)c1ccccc1
Isomeric Smiles
n1c(n(cc1c1ccccc1)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.55457133
LogD (pH = 7.4)
0.56120104
Log P
0.7775765
Molar Refractivity
53.8455
Polarizability
20.377815
Polar Surface Area
69.86
Rotatable Bonds
1
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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