Molecule
ID:7882
General Information
Molecular Formula
C₁₀H₆F₁₂O₄
Molecular Mass
418.1330784
Exact Mass
418.00744731
Charge
0
InChI
InChI=1S/C10H6F12O4/c1-25-3(23)5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(24)26-2/h1-2H3
InChIKey
SLFDDMXEAUAENU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.231893
LogD (pH = 7.4)
4.231893
Log P
4.231893
Molar Refractivity
51.9848
Polarizability
20.758003
Polar Surface Area
52.6
Rotatable Bonds
9
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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