Molecule

ID:67435

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O
Molecular Mass
98.10324
Exact Mass
98.04801282
Charge
0
InChI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
InChIKey
WGVHNCAJPFIFCR-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(c1)O
Isomeric Smiles
[nH]1nc(cc1O)C
Calculated Properties
JChem
Acid pKa
5.014968
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.39567167
LogD (pH = 7.4)
-1.545245
Log P
0.09146291
Molar Refractivity
25.5711
Polarizability
9.536425
Polar Surface Area
48.91
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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