Molecule

ID:111181

General Information
Structure
MolImage
Molecular Formula
C₄H₅NaO₅
Molecular Mass
156.06927
Exact Mass
156.00346754
Charge
0
InChI
InChI=1S/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKey
DOJOZCIMYABYPO-DKWTVANSSA-M
Canonic Smiles
OC(=O)C[C@@H](C(=O)[O-])O.[Na+]
Isomeric Smiles
[Na+].O[C@@H](CC(=O)O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.198357
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.9168313
LogD (pH = 7.4)
-6.814561
Log P
-1.1136414
Molar Refractivity
35.7123
Polarizability
10.0031595
Polar Surface Area
97.66
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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