Molecule

ID:29893

General Information
Structure
Molecular Formula
C₉H₈F₄
Molecular Mass
192.1534328
Exact Mass
192.05621314
Charge
0
InChI
InChI=1S/C9H8F4/c1-6-2-3-8(10)4-7(6)5-9(11,12)13/h2-4H,5H2,1H3
InChIKey
QSDHGBAIHPTQOM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)CC(F)(F)F)C
Isomeric Smiles
c1(c(cc(cc1)F)CC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7775207
LogD (pH = 7.4)
3.7775207
Log P
3.7775207
Molar Refractivity
41.7411
Polarizability
14.818962
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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