Molecule

ID:135718

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀O₂
Molecular Mass
279.42225484
Exact Mass
279.22793504
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/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/i18+1
InChIKey
DTOSIQBPPRVQHS-CPZJZEHKSA-N
Canonic Smiles
CC/C=C/C/C=C/C/C=C/CCCCCCC[13C](=O)O
Isomeric Smiles
CC/C=C/C/C=C/C/C=C/CCCCCCC[13C](=O)O
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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