Molecule

ID:108642

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄MnO₄
Molecular Mass
229.132409
Exact Mass
229.02725403
Charge
0
InChI
InChI=1S/2C4H8O2.Mn/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKey
BLMXJJXSWRYMCS-UHFFFAOYSA-L
Canonic Smiles
CCCC(=O)[O-].CCCC(=O)[O-].[Mn+2]
Isomeric Smiles
[Mn+2].CCCC(=O)[O-].CCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9079223
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.23125745
LogD (pH = 7.4)
-1.5335919
Log P
0.9217588
Molar Refractivity
32.7087
Polarizability
8.534485
Polar Surface Area
40.13
Rotatable Bonds
4
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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