Molecule

ID:135914

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₄
Molecular Mass
142.08575
Exact Mass
142.02420299
Charge
0
InChI
InChI=1S/C4H8O4.Na/c5-1-2-8-3-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
InChIKey
CEAQLKGSEMCNNR-UHFFFAOYSA-M
Canonic Smiles
OCCOCC(=O)[O-].[Na+]
Isomeric Smiles
C(C(=O)[O-])OCCO.[Na+]
Calculated Properties
JChem
Acid pKa
3.716658
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8702822
LogD (pH = 7.4)
-4.3862543
Log P
-1.0875692
Molar Refractivity
36.2265
Polarizability
10.006535
Polar Surface Area
69.59
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation