Molecule

ID:98386

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₇O
Molecular Mass
248.0976424
Exact Mass
248.00721226
Charge
0
InChI
InChI=1S/C8H3F7O/c1-16-7-5(11)3(9)2(8(13,14)15)4(10)6(7)12/h1H3
InChIKey
IZAURIRLQJRFML-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(F)c(c(c1F)F)C(F)(F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)C(F)(F)F)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2642307
LogD (pH = 7.4)
3.2642307
Log P
3.2642307
Molar Refractivity
39.3605
Polarizability
13.965247
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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