Molecule

ID:56233

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2,(H2,6,8)
InChIKey
BXHGGEZILMHEAM-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(o1)C1CC1
Isomeric Smiles
n1nc(oc1N)C1CC1
Calculated Properties
JChem
Acid pKa
12.863195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.28713015
LogD (pH = 7.4)
-0.28713086
Log P
-0.28712946
Molar Refractivity
32.9972
Polarizability
11.389102
Polar Surface Area
64.94
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
References
Bioactivity
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