Molecule

ID:34517

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃O
Molecular Mass
127.14446
Exact Mass
127.07456192
Charge
0
InChI
InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3
InChIKey
DXORLLLAUZFWFF-UHFFFAOYSA-N
Canonic Smiles
CNCc1onc(n1)C
Isomeric Smiles
o1nc(nc1CNC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5950022
LogD (pH = 7.4)
-0.17602272
Log P
-0.003952619
Molar Refractivity
33.8735
Polarizability
12.451287
Polar Surface Area
50.95
Rotatable Bonds
2
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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