Molecule

ID:93133

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂N
Molecular Mass
157.1605664
Exact Mass
157.07030573
Charge
0
InChI
InChI=1S/C8H9F2N/c1-5-2-3-6(4-11)8(10)7(5)9/h2-3H,4,11H2,1H3
InChIKey
BHMZMUKPFBBPKG-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1F)F)C
Isomeric Smiles
NCc1c(c(c(cc1)C)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.98728085
LogD (pH = 7.4)
0.37429306
Log P
1.8978395
Molar Refractivity
40.0054
Polarizability
14.822787
Polar Surface Area
26.02
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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