Molecule

ID:29965

General Information
Structure
Molecular Formula
C₈H₃F₇
Molecular Mass
232.0982424
Exact Mass
232.01229764
Charge
0
InChI
InChI=1S/C8H3F7/c9-4-1-2-5(7(10,11)12)6(3-4)8(13,14)15/h1-3H
InChIKey
ITNYISOJCVKBSZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(cc(c(c1)C(F)(F)F)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8716447
LogD (pH = 7.4)
3.8716447
Log P
3.8716447
Molar Refractivity
38.2218
Polarizability
13.22121
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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