CC1=NC2=C(C=C1)C(=CC=C2)OS(=O)(=O)C(F)(F)F
이름: (2-methylquinolin-5-yl) trifluoromethanesulfonate
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C11H8F3NO3S
Molecular weight
291.25
Exact mass
291.0177
XLogP
2.77
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
62.08

Supplementary Information

InChIKey: FGFKSBOBRKEBRK-UHFFFAOYSA-N
동의어
2-Methylquinolin-5-yl trifluoromethanesulfonatequinaldine-5-triflateSCHEMBL4313162-Methyl-5-quinolinyl trifluoromethanesulfonate
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