Molecule
ID:122588
General Information
Molecular Formula
C₁₇H₂₀O₅
Molecular Mass
304.3377
Exact Mass
304.13107374
Charge
0
InChI
InChI=1S/C17H20O5/c1-20-16(19)11-21-12-5-6-13-14(18)10-17(22-15(13)9-12)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3
InChIKey
SRUFYYDHPARFSS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1ccc2c(c1)OC1(CC2=O)CCCCC1
Isomeric Smiles
c12c(C(=O)CC3(O1)CCCCC3)ccc(c2)OCC(=O)OC
Calculated Properties
JChem
Acid pKa
14.795242
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5008092
LogD (pH = 7.4)
2.5008092
Log P
2.5008092
Molar Refractivity
79.285
Polarizability
31.330618
Polar Surface Area
61.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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