Molecule

ID:89223

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKey
FFEDTKQANJQNBP-UHFFFAOYSA-N
Canonic Smiles
Cn1cncc1C(=O)N
Isomeric Smiles
n1cn(C)c(c1)C(=O)N
Calculated Properties
JChem
Acid pKa
13.9861
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2695343
LogD (pH = 7.4)
-1.152826
Log P
-1.1509067
Molar Refractivity
32.8654
Polarizability
11.805406
Polar Surface Area
60.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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