Molecule

ID:110579

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₃
Molecular Mass
118.09134
Exact Mass
118.03784206
Charge
0
InChI
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKey
KZVRXPPUJQRGFN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NCC(=O)O
Isomeric Smiles
NC(=O)NCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.99
LogD (pH = 5.5)
-3.52
Log P
-1.66
Rotatable Bonds
2
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.64
Polar Surface Area
92.42
Polarizability
10.02
Molar Refractivity
24.12
LOG S
0.19
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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