Molecule
ID:100588
General Information
Molecular Formula
C₂₃H₁₈F₆O₄
Molecular Mass
472.3770392
Exact Mass
472.11092838
Charge
0
InChI
InChI=1S/C23H18F6O4/c1-13(2)19(30)32-17-9-5-15(6-10-17)21(22(24,25)26,23(27,28)29)16-7-11-18(12-8-16)33-20(31)14(3)4/h5-12H,1,3H2,2,4H3
InChIKey
AAOHKRNFHQXDFX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C(=C)C
Isomeric Smiles
FC(C(c1ccc(cc1)OC(=O)C(=C)C)(c1ccc(cc1)OC(=O)C(=C)C)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.3658357
LogD (pH = 7.4)
7.3658357
Log P
7.3658357
Molar Refractivity
117.4527
Polarizability
39.77355
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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