Molecule

ID:97330

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₄N
Molecular Mass
193.1414928
Exact Mass
193.05146211
Charge
0
InChI
InChI=1S/C8H7F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H,4,13H2
InChIKey
FCYVKQRWNQRCFE-UHFFFAOYSA-N
Canonic Smiles
NCc1c(F)cccc1C(F)(F)F
Isomeric Smiles
NCc1c(cccc1C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.71218836
LogD (pH = 7.4)
0.7485248
Log P
2.1195648
Molar Refractivity
40.7215
Polarizability
14.669693
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
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References
Bioactivity
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