Molecule

ID:67116

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃
Molecular Mass
95.1026
Exact Mass
95.04834718
Charge
0
InChI
InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
InChIKey
OYRRZWATULMEPF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncn1
Isomeric Smiles
c1nc(ccn1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.19
LogD (pH = 5.5)
-0.47
Log P
-0.18
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
5.50
Polar Surface Area
51.80
Polarizability
9.04
Molar Refractivity
27.74
LOG S
-0.61
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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