Molecule

ID:84990

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₄
Molecular Mass
288.3383
Exact Mass
288.13615912
Charge
0
InChI
InChI=1S/C17H20O4/c1-19-13-8-6-12(11-14(13)20-2)7-9-15(18)17-10-4-3-5-16(17)21-17/h6-9,11,16H,3-5,10H2,1-2H3
InChIKey
QUUNKNVMAVPMIY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)C23CCCCC3O2)ccc1OC
Isomeric Smiles
O1C2(C1CCCC2)C(=O)/C=C/c1ccc(c(c1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4473388
LogD (pH = 7.4)
3.4473388
Log P
3.4473388
Molar Refractivity
80.145
Polarizability
31.078579
Polar Surface Area
48.06
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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