Molecule

ID:132574

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/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-
InChIKey
JYYFMIOPGOFNPK-AGRJPVHOSA-N
Canonic Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
Isomeric Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.56
LogD (pH = 5.5)
6.56
Log P
6.56
Rotatable Bonds
15
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
39.27
Molar Refractivity
99.15
LOG S
-7.68
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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