Molecule

ID:67083

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c1-4-7-2-5(6)3-8-4/h2-3H,6H2,1H3
InChIKey
VGPRNGGSKJHOFE-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc(nc1)C
Isomeric Smiles
c1(ncc(cn1)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.22685196
LogD (pH = 7.4)
-0.22600105
Log P
-0.22599019
Molar Refractivity
32.0471
Polarizability
11.447505
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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