Molecule

ID:73274

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₅
Molecular Mass
338.4385
Exact Mass
338.20932406
Charge
0
InChI
InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
InChIKey
JGPMMRGNQUBGND-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Isomeric Smiles
C1(=O)C(=C(C(=O)C(=C1C)CCCCCCCCCCO)OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
3.57
LogD (pH = 5.5)
3.57
Log P
3.57
Rotatable Bonds
12
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-1.99
Polar Surface Area
72.83
Polarizability
39.56
Molar Refractivity
96.52
LOG S
-4.63
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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