Molecule

ID:64494

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃
Molecular Mass
95.1026
Exact Mass
95.04834718
Charge
0
InChI
InChI=1S/C4H5N3/c5-4-1-2-6-7-3-4/h1-3H,(H2,5,6)
InChIKey
LUCGBEPEAUHERV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnnc1
Isomeric Smiles
c1nncc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0487468
LogD (pH = 7.4)
-1.1002773
Log P
-1.0531225
Molar Refractivity
28.4648
Polarizability
9.686669
Polar Surface Area
51.8
Rotatable Bonds
0
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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