Molecule
ID:120371
General Information
Molecular Formula
C₄H₆N₂O₃
Molecular Mass
130.10204
Exact Mass
130.03784206
Charge
0
InChI
InChI=1S/C4H6N2O3/c7-1-3-4(2-8)6-9-5-3/h7-8H,1-2H2
InChIKey
VXYQBAFVQYQKPY-UHFFFAOYSA-N
Canonic Smiles
OCc1nonc1CO
Isomeric Smiles
c1(c(non1)CO)CO
Calculated Properties
JChem
Acid pKa
12.906915
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8096647
LogD (pH = 7.4)
-1.809666
Log P
-1.8096646
Molar Refractivity
29.016
Polarizability
10.5968
Polar Surface Area
79.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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