Molecule

ID:58160

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-3-8-5(7)4-1-2-4/h4H,1-2H2,(H2,7,8)
InChIKey
YMNZYWAFGJXJIV-UHFFFAOYSA-N
Canonic Smiles
N#C/N=C(/C1CC1)\N
Isomeric Smiles
C1C(C1)/C(=N/C#N)/N
Calculated Properties
JChem
Acid pKa
19.388504
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.05300365
LogD (pH = 7.4)
0.022475548
Log P
0.023528636
Molar Refractivity
29.8999
Polarizability
10.93854
Polar Surface Area
62.17
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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