Molecule

ID:5281

General Information
Structure
Molecular Formula
C₁₉H₃₀O₄
Molecular Mass
322.4391
Exact Mass
322.21440944
Charge
0
InChI
InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
InChIKey
VMEGFMNVSYVVOM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Isomeric Smiles
O=C1C(=C(OC)C(=O)C(=C1C)CCCCCCCCCC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
5.00
LogD (pH = 5.5)
5.00
Log P
5.00
Rotatable Bonds
11
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
-4.72
Polar Surface Area
52.60
Polarizability
38.52
Molar Refractivity
94.59
LOG S
-6.34
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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