Molecule

ID:114717

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-8-5-1-3-7-4-2-5/h1-4H,6H2,(H,7,8)
InChIKey
KRTLKPFLTASKCG-UHFFFAOYSA-N
Canonic Smiles
NNc1ccncc1
Isomeric Smiles
n1ccc(NN)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8640233
LogD (pH = 7.4)
0.045043156
Log P
0.14721599
Molar Refractivity
33.6078
Polarizability
11.985546
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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