Molecule

ID:96095

General Information
Structure
Molecular Formula
C₁₁H₅ClF₆N₂O
Molecular Mass
330.6136192
Exact Mass
329.99945979
Charge
0
InChI
InChI=1S/C11H5ClF6N2O/c12-4-8-19-9(21-20-8)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2
InChIKey
OUOPGSAXEAUWIG-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)onc1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6908073
LogD (pH = 7.4)
4.6908073
Log P
4.6908073
Molar Refractivity
73.1007
Polarizability
22.336422
Polar Surface Area
38.92
Rotatable Bonds
4
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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