Molecule

ID:131132

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄O₂
Molecular Mass
306.48276
Exact Mass
306.25588033
Charge
0
InChI
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
InChIKey
MJLYTDAIYLGSRZ-ORZIMQNZSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
Isomeric Smiles
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.5626574
LogD (pH = 7.4)
6.5626574
Log P
6.5626574
Molar Refractivity
99.1531
Polarizability
37.64706
Polar Surface Area
26.3
Rotatable Bonds
15
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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