Molecule

ID:119615

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈O₃
Molecular Mass
280.40242
Exact Mass
280.20384476
Charge
0
InChI
InChI=1S/C17H28O3/c1-5-8-9-13(6-2)15-11-14(18)10-12(4)16(15)17(19)20-7-3/h10,13,15-16H,5-9,11H2,1-4H3
InChIKey
VOMWEKBBFUHRJE-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C1CC(=O)C=C(C1C(=O)OCC)C)CC
Isomeric Smiles
C1(=CC(=O)CC(C1C(=O)OCC)C(CC)CCCC)C
Calculated Properties
JChem
Acid pKa
17.341373
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.48504
LogD (pH = 7.4)
4.48504
Log P
4.251707
Molar Refractivity
81.4825
Polarizability
31.905514
Polar Surface Area
43.37
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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