Molecule

ID:125713

General Information
Structure
Molecular Formula
C₁₈H₃₀O₂
Molecular Mass
278.4296
Exact Mass
278.2245802
Charge
0
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)
InChIKey
CUXYLFPMQMFGPL-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCC/C=C/C=C/C=C/CCCC
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4320216
LogD (pH = 7.4)
3.6783652
Log P
6.059955
Molar Refractivity
89.6354
Polarizability
33.692265
Polar Surface Area
37.3
Rotatable Bonds
13
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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