Molecule

ID:106711

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀CoO₁₄
Molecular Mass
505.3342
Exact Mass
505.09675064
Charge
0
InChI
InChI=1S/2C8H16O7.Co/c2*1-2-8(15,7(13)14)6(12)5(11)4(10)3-9;/h2*4-6,9-12,15H,2-3H2,1H3,(H,13,14);/q;;+2/p-2
InChIKey
DILUUGGORCMUNQ-UHFFFAOYSA-L
Canonic Smiles
OCC(C(C(C(C(=O)[O-])(CC)O)O)O)O.OCC(C(C(C(C(=O)[O-])(CC)O)O)O)O.[Co+2]
Isomeric Smiles
[Co+2].CCC(O)(C(O)C(O)C(O)CO)C(=O)[O-].CCC(O)(C(O)C(O)C(O)CO)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.560652
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-4.38775
LogD (pH = 7.4)
-5.810829
Log P
-2.454456
Molar Refractivity
58.3454
Polarizability
19.283978
Polar Surface Area
141.28
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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