Molecule

ID:58229

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O₂
Molecular Mass
100.07606
Exact Mass
100.02727738
Charge
0
InChI
InChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey
NNXROHRFMWHXNH-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)O
Isomeric Smiles
n1nc(oc1C)O
Calculated Properties
JChem
Acid pKa
3.9750636
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8732636
LogD (pH = 7.4)
-2.2746067
Log P
-0.54156506
Molar Refractivity
22.8785
Polarizability
8.009242
Polar Surface Area
59.15
Rotatable Bonds
0
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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