Molecule

ID:60823

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)
InChIKey
MVHONLHZERWNRF-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(=O)[nH]c(n1)C
Isomeric Smiles
n1c(cc(=O)[nH]c1C)N
Calculated Properties
JChem
Acid pKa
11.498775
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0155675
LogD (pH = 7.4)
-1.0103809
Log P
-1.0102834
Molar Refractivity
42.2857
Polarizability
12.08672
Polar Surface Area
67.48
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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