Molecule

ID:24545

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃
Molecular Mass
111.14506
Exact Mass
111.0796473
Charge
0
InChI
InChI=1S/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3
InChIKey
PZSMLGOAJXSDMK-UHFFFAOYSA-N
Canonic Smiles
NCc1nccn1C
Isomeric Smiles
c1(n(ccn1)C)CN
Calculated Properties
JChem
LogD (pH = 5.5)
-3.158486
LogD (pH = 7.4)
-1.5157255
Log P
-0.7226133
Molar Refractivity
31.7099
Polarizability
12.266291
Polar Surface Area
43.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
2
H Donor
1
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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