Molecule

ID:4481

General Information
Structure
MolImage
Molecular Formula
C₃₃H₆₀O₁₀
Molecular Mass
616.8235
Exact Mass
616.41864812
Charge
0
InChI
InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKey
FBWNMEQMRUMQSO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric Smiles
CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
4.82
LogD (pH = 5.5)
4.82
Log P
4.82
Rotatable Bonds
35
H Donor
1
H Acceptors
10
Lipinski's Rule of Five
false
Acid pKa
15.12
Polar Surface Area
103.30
Polarizability
77.47
Molar Refractivity
169.01
LOG S
-5.17
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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