Molecule

ID:104332

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChIKey
LRSASMSXMSNRBT-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(=O)[nH]c1N
Isomeric Smiles
Cc1c(N)[nH]c(=O)nc1
Calculated Properties
JChem
Acid pKa
10.078245
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7596563
LogD (pH = 7.4)
-0.7529681
Log P
-0.7520553
Molar Refractivity
42.3719
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
References
Bioactivity
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