Molecule

ID:135684

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₃
Molecular Mass
127.07900484
Exact Mass
127.0326432
Charge
0
InChI
InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1/i4+1;
InChIKey
NBPUSGBJDWCHKC-VZHAHHFWSA-M
Canonic Smiles
[O-][13C](=O)CC(O)C.[Na+]
Isomeric Smiles
CC(C[13C](=O)[O-])O.[Na+]
Calculated Properties
JChem
Acid pKa
4.4062915
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5127869
LogD (pH = 7.4)
-3.2701502
Log P
-0.38700598
Molar Refractivity
34.3012
Polarizability
9.2274685
Polar Surface Area
60.36
Rotatable Bonds
2
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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