Molecule

ID:133609

General Information
Structure
MolImage
Molecular Formula
C₂H₆NNaO₃
Molecular Mass
115.06371
Exact Mass
115.02453734
Charge
0
InChI
InChI=1S/C2H5NO2.Na.H2O/c3-1-2(4)5;;/h1,3H2,(H,4,5);;1H2/q;+1;/p-1
InChIKey
CIJQGPVMMRXSQW-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CN.O.[Na+]
Isomeric Smiles
C(C(=O)[O-])N.O.[Na+]
Calculated Properties
JChem
Acid pKa
2.307457
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4094565
LogD (pH = 7.4)
-3.4150424
Log P
-3.4094596
Molar Refractivity
26.8405
Polarizability
6.4318523
Polar Surface Area
66.15
Rotatable Bonds
1
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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