Molecule

ID:7565

General Information
Structure
Molecular Formula
C₈H₇F₄N
Molecular Mass
193.1414928
Exact Mass
193.05146211
Charge
0
InChI
InChI=1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChIKey
ADHUUMWSWNPEMZ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)cc(c1)C(F)(F)F
Isomeric Smiles
Fc1cc(cc(c1)C(F)(F)F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8307055
LogD (pH = 7.4)
0.3280721
Log P
2.1195648
Molar Refractivity
40.7215
Polarizability
14.669799
Polar Surface Area
26.02
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
References
Bioactivity
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