Molecule

ID:93562

General Information
Structure
MolImage
Molecular Formula
C₁₂HF₁₉N₂O
Molecular Mass
550.1188008
Exact Mass
549.97854884
Charge
0
InChI
InChI=1S/C12HF19N2O/c13-5(14,2-1-3(6(15,16)17)33(32-2)4(34)7(18,19)20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1H
InChIKey
XRMVBFQAGFWDAX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)n1nc(cc1C(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1(C(=O)C(F)(F)F)nc(cc1C(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2943296
LogD (pH = 7.4)
6.2943296
Log P
6.2943296
Molar Refractivity
64.8188
Polarizability
24.054974
Polar Surface Area
34.89
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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