Molecule

ID:136162

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂
Molecular Mass
68.07726
Exact Mass
68.03744814
Charge
0
InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-N
Canonic Smiles
c1ccn[nH]1
Isomeric Smiles
c1cn[nH]c1
Calculated Properties
JChem
Acid pKa
14.626222
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.27722752
LogD (pH = 7.4)
0.27742723
Log P
0.27742982
Molar Refractivity
19.7454
Polarizability
7.1577454
Polar Surface Area
28.68
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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