Molecule

ID:53671

General Information
Structure
Molecular Formula
C₄H₅N₃
Molecular Mass
95.1026
Exact Mass
95.04834718
Charge
0
InChI
InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
InChIKey
XFTQRUTUGRCSGO-UHFFFAOYSA-N
Canonic Smiles
Nc1cnccn1
Isomeric Smiles
c1(cnccn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6968056
LogD (pH = 7.4)
-0.69657046
Log P
-0.6965675
Molar Refractivity
26.7581
Polarizability
9.683096
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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