Molecule

ID:72833

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₂
Molecular Mass
110.08695
Exact Mass
110.03437375
Charge
0
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKey
MFBOGIVSZKQAPD-UHFFFAOYSA-M
Canonic Smiles
CCCC(=O)O[Na]
Isomeric Smiles
CCCC(=O)O[Na]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1678
LogD (pH = 7.4)
1.1678
Log P
1.1678
Molar Refractivity
20.944
Polarizability
10.551695
Polar Surface Area
26.3
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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