Molecule

ID:97932

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₄
Molecular Mass
192.1534328
Exact Mass
192.05621314
Charge
0
InChI
InChI=1S/C9H8F4/c1-5-3-7(9(11,12)13)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
QXYRTKNNKYKFLX-UHFFFAOYSA-N
Canonic Smiles
Fc1c(C)cc(cc1C)C(F)(F)F
Isomeric Smiles
Fc1c(cc(cc1C)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.020639
LogD (pH = 7.4)
4.020639
Log P
4.020639
Molar Refractivity
42.3305
Polarizability
14.813455
Polar Surface Area
0.0
Rotatable Bonds
1
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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