Molecule

ID:131973

General Information
Structure
MolImage
Molecular Formula
C₃₅H₆₇IO₄
Molecular Mass
678.80855
Exact Mass
678.40840862
Charge
0
InChI
InChI=1S/C35H67IO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKey
JJKDQFHYOKPMCL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)CI
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(CI)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
13.817552
LogD (pH = 7.4)
13.817552
Log P
13.817552
Molar Refractivity
179.1361
Polarizability
71.482155
Polar Surface Area
52.6
Rotatable Bonds
34
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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