Molecule

ID:135484

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₀O₆
Molecular Mass
436.5815
Exact Mass
436.282489
Charge
0
InChI
InChI=1S/C25H40O6/c1-3-28-16-20-8-12-22(13-9-20)18-30-24(26)6-5-7-25(27)31-19-23-14-10-21(11-15-23)17-29-4-2/h3-4,20-23H,1-2,5-19H2
InChIKey
SDNBHBGJJPWRJG-UHFFFAOYSA-N
Canonic Smiles
C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC1CCC(CC1)COC=C
Isomeric Smiles
C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC1CCC(CC1)COC=C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.718631
LogD (pH = 7.4)
4.718631
Log P
4.718631
Molar Refractivity
118.8536
Polarizability
47.7568
Polar Surface Area
71.06
Rotatable Bonds
16
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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