Molecule
ID:78691
General Information
Molecular Formula
C₁₇H₁₄Cl₂O₆
Molecular Mass
385.19546
Exact Mass
384.01674353
Charge
0
InChI
InChI=1S/C17H14Cl2O6/c1-22-13-5-9(6-14(23-2)16(13)24-3)17(21)25-15-10(8-20)4-11(18)7-12(15)19/h4-8H,1-3H3
InChIKey
PVYDPYYHBJVCSJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1OC(=O)c1cc(OC)c(c(c1)OC)OC)Cl
Isomeric Smiles
O(c1c(cc(cc1C=O)Cl)Cl)C(=O)c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.082259
LogD (pH = 7.4)
4.082259
Log P
4.082259
Molar Refractivity
93.4441
Polarizability
35.84931
Polar Surface Area
71.06
Rotatable Bonds
7
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
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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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