Molecule

ID:84994

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈O₄
Molecular Mass
274.31172
Exact Mass
274.12050906
Charge
0
InChI
InChI=1S/C16H18O4/c1-18-12-7-5-11(10-13(12)19-2)6-8-14(17)16-9-3-4-15(16)20-16/h5-8,10,15H,3-4,9H2,1-2H3
InChIKey
VGHKTVMADWRSIB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)C23CCCC3O2)ccc1OC
Isomeric Smiles
O1C2(C1CCC2)C(=O)/C=C/c1ccc(c(c1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0027702
LogD (pH = 7.4)
3.0027702
Log P
3.0027702
Molar Refractivity
75.544
Polarizability
29.239788
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
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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