Molecule

ID:112640

General Information
Structure
MolImage
Molecular Formula
C₃₆H₆₂MnO₄
Molecular Mass
613.813129
Exact Mass
613.40285556
Charge
0
InChI
InChI=1S/2C18H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
SEAWWISVQGCBOW-UHFFFAOYSA-L
Canonic Smiles
CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[Mn+2]
Isomeric Smiles
[Mn+2].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7939434
LogD (pH = 7.4)
4.040287
Log P
6.421877
Molar Refractivity
99.355896
Polarizability
33.821545
Polar Surface Area
40.13
Rotatable Bonds
28
Lipinski's Rule of Five
false
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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