Molecule
ID:80836
General Information
Molecular Formula
C₁₈H₁₈O₇
Molecular Mass
346.33132
Exact Mass
346.10525292
Charge
0
InChI
InChI=1S/C18H18O7/c1-21-14-7-11(10-19)5-6-13(14)25-18(20)12-8-15(22-2)17(24-4)16(9-12)23-3/h5-10H,1-4H3
InChIKey
HVTQNCJLDBFXOU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
O(c1c(cc(cc1)C=O)OC)C(=O)c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.7164986
LogD (pH = 7.4)
2.7164986
Log P
2.7164986
Molar Refractivity
90.2977
Polarizability
34.511745
Polar Surface Area
80.29
Rotatable Bonds
8
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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