Molecule

ID:111628

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈O₄Zn
Molecular Mass
431.91472
Exact Mass
430.2061517
Charge
0
InChI
InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
InChIKey
YMCOHQVWOBMDCZ-UHFFFAOYSA-L
Canonic Smiles
C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2]
Isomeric Smiles
[Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
Calculated Properties
JChem
Acid pKa
5.0211167
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1267557
LogD (pH = 7.4)
1.3787246
Log P
3.7297513
Molar Refractivity
64.9598
Polarizability
21.147709
Polar Surface Area
40.13
Rotatable Bonds
18
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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