Molecule

ID:12016

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₁₅O₄
Molecular Mass
460.093768
Exact Mass
459.97918188
Charge
0
InChI
InChI=1S/C9H3F15O4/c1-26-2(25)3(10,11)27-8(21,22)9(23,24)28-7(19,20)5(14,15)4(12,13)6(16,17)18/h1H3
InChIKey
FBGFUFLXPSSLND-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(=O)OC)(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.754766
LogD (pH = 7.4)
5.754766
Log P
5.754766
Molar Refractivity
52.1064
Polarizability
20.115229
Polar Surface Area
44.76
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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