Molecule

ID:104962

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄O₂
Molecular Mass
306.48276
Exact Mass
306.25588033
Charge
0
InChI
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)
InChIKey
HOBAELRKJCKHQD-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
Isomeric Smiles
CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.8858237
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.24093
LogD (pH = 7.4)
4.4736137
Log P
6.9490924
Molar Refractivity
98.8374
Polarizability
37.38399
Polar Surface Area
37.3
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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