Molecule

ID:39715

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₃
Molecular Mass
118.09134
Exact Mass
118.03784206
Charge
0
InChI
InChI=1S/C3H6N2O3/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)
InChIKey
NNTWKXKLHMTGBU-UHFFFAOYSA-N
Canonic Smiles
OC1NC(=O)NC1O
Isomeric Smiles
N1C(=O)NC(C1O)O
Calculated Properties
JChem
Acid pKa
10.3150015
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-1.8164605
LogD (pH = 7.4)
-1.8169233
Log P
-1.8164545
Molar Refractivity
23.0268
Polarizability
9.377234
Polar Surface Area
81.59
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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