Molecule

ID:111581

General Information
Structure
MolImage
Molecular Formula
C₃₂H₆₂O₄Zn
Molecular Mass
576.21228
Exact Mass
574.39395246
Charge
0
InChI
InChI=1S/2C16H32O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKey
GJAPSKMAVXDBIU-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Isomeric Smiles
[Zn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.600777
LogD (pH = 7.4)
3.8416421
Log P
6.2565827
Molar Refractivity
87.9207
Polarizability
30.60571
Polar Surface Area
40.13
Rotatable Bonds
28
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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