Molecule

ID:9169

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₆O
Molecular Mass
230.1071792
Exact Mass
230.01663407
Charge
0
InChI
InChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H
InChIKey
PNJSCLOFYSBUMK-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)C(F)(F)F)(F)F
Isomeric Smiles
c1c(ccc(c1)C(F)(F)F)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.282206
LogD (pH = 7.4)
4.282206
Log P
4.282206
Molar Refractivity
35.102
Polarizability
14.016663
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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