Molecule

ID:4296

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/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
InChIKey
ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N
Canonic Smiles
CC/C=C\C=C\C=C\CCCCCCCCCC(=O)O
Isomeric Smiles
CC/C=C\C=C\C=C\CCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.65
LogD (pH = 5.5)
5.40
Log P
6.06
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
36.46
Molar Refractivity
89.64
LOG S
-7.42
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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