Molecule

ID:105737

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[Zn]OC(=O)CCCCCCCCC=C
Isomeric Smiles
C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3036
LogD (pH = 7.4)
6.3036
Log P
6.3036
Molar Refractivity
106.3902
Polarizability
45.565216
Polar Surface Area
52.6
Rotatable Bonds
22
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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