Molecule

ID:57519

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃
Molecular Mass
97.11848
Exact Mass
97.06399724
Charge
0
InChI
InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKey
JDIPHBYZUMQFQV-UHFFFAOYSA-N
Canonic Smiles
CCc1n[nH]cn1
Isomeric Smiles
[nH]1nc(nc1)CC
Calculated Properties
JChem
Acid pKa
12.061412
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7683898
LogD (pH = 7.4)
0.7675799
Log P
0.7686761
Molar Refractivity
28.1708
Polarizability
9.872552
Polar Surface Area
41.57
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
No Data Available
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Molecule Details
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References
Bioactivity
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