Molecule

ID:57203

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-5-3-2-4-8-6(5)9-7/h2-4H,7H2,1H3,(H,8,9)
InChIKey
IRZALWDJCUHVNE-UHFFFAOYSA-N
Canonic Smiles
NNc1ncccc1C
Isomeric Smiles
c1cnc(c(c1)C)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.23032288
LogD (pH = 7.4)
0.069952026
Log P
1.2550949
Molar Refractivity
38.9625
Polarizability
13.755761
Polar Surface Area
50.94
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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