Molecule

ID:135988

General Information
Structure
MolImage
Molecular Formula
CH₈N₂O₃
Molecular Mass
98.0726378
Exact Mass
98.04756191
Charge
0
InChI
InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3/i;2*1+1
InChIKey
PRKQVKDSMLBJBJ-IMSGLENWSA-N
Canonic Smiles
OC(=O)O.[15NH3].[15NH3]
Isomeric Smiles
C(=O)(O)O.[15NH3].[15NH3]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
9.4982
Polarizability
3.880898
Polar Surface Area
57.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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