Molecule

ID:97134

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₉O
Molecular Mass
298.1051488
Exact Mass
298.0040187
Charge
0
InChI
InChI=1S/C9H3F9O/c10-2-3(11)5(13)7(6(14)4(2)12)19-1-9(17,18)8(15)16/h8H,1H2
InChIKey
YXQDEALNNYDUIZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(COc1c(F)c(F)c(c(c1F)F)F)(F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)CC(C(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6960628
LogD (pH = 7.4)
3.6960628
Log P
3.6960628
Molar Refractivity
42.8316
Polarizability
15.798388
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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