Molecule

ID:90599

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c1-4-2-5(6)8-7-3-4/h2-3H,1H3,(H2,6,8)
InChIKey
NDPKVJZZCMFBIO-UHFFFAOYSA-N
Canonic Smiles
Cc1cnnc(c1)N
Isomeric Smiles
n1nc(cc(c1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21781673
LogD (pH = 7.4)
0.050005153
Log P
0.054756403
Molar Refractivity
33.8195
Polarizability
11.4501295
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
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References
Bioactivity
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