Molecule

ID:111069

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₅
Molecular Mass
338.4385
Exact Mass
338.20932406
Charge
0
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKey
FIPWRIJSWJWJAI-UHFFFAOYSA-N
Canonic Smiles
CCCCOCCOCCOCc1cc2OCOc2cc1CCC
Isomeric Smiles
CCCCOCCOCCOCc1cc2c(OCO2)cc1CCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.10
LogD (pH = 5.5)
4.10
Log P
4.10
Rotatable Bonds
13
H Donor
0
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
13.58
Polar Surface Area
46.15
Polarizability
40.44
Molar Refractivity
93.60
LOG S
-4.55
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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