Molecule

ID:98220

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₄N₂
Molecular Mass
194.1295528
Exact Mass
194.04671108
Charge
0
InChI
InChI=1S/C7H6F4N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChIKey
WMKGEQCSIZQIEK-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)c(cc1N)C(F)(F)F
Isomeric Smiles
FC(c1c(cc(c(c1)N)N)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3351451
LogD (pH = 7.4)
1.3359343
Log P
1.3359443
Molar Refractivity
41.6489
Polarizability
13.763179
Polar Surface Area
52.04
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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