Molecule

ID:111108

General Information
Structure
MolImage
Molecular Formula
C₄H₆NNaO₄
Molecular Mass
155.08451
Exact Mass
155.01945196
Charge
0
InChI
InChI=1S/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKey
WTWSHHITWMVLBX-DKWTVANSSA-M
Canonic Smiles
OC(=O)C[C@@H](C(=O)[O-])N.[Na+]
Isomeric Smiles
[Na+].N[C@@H](CC(=O)O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
1.7025436
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.018386
LogD (pH = 7.4)
-5.749634
Log P
-3.5037527
Molar Refractivity
37.3698
Polarizability
10.777578
Polar Surface Area
103.45
Rotatable Bonds
3
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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