Molecule

ID:26091

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₄
Molecular Mass
286.32242
Exact Mass
286.12050906
Charge
0
InChI
InChI=1S/C17H18O4/c1-3-20-17-10-13(11-18)7-8-16(17)21-12-14-5-4-6-15(9-14)19-2/h4-11H,3,12H2,1-2H3
InChIKey
JKICKVPWBMZZOL-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1cccc(c1)OC
Isomeric Smiles
c1(c(OCc2cc(OC)ccc2)ccc(c1)C=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2940154
LogD (pH = 7.4)
3.2940154
Log P
3.2940154
Molar Refractivity
81.3928
Polarizability
31.204777
Polar Surface Area
44.76
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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