Название: 1-(1-(1-(5,7-difluoroquinolin-6-yl)ethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)ethanone
SMILES:
CC(=O)c1cnc2nnn(C(C)c3c(F)cc4ncccc4c3F)c2n1Molecular Processing
Molecular formula
C17H12F2N6O
Molecular weight
354.32
Exact mass
354.1041
XLogP
2.86
TPSA
86.45
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
88.59
Supplementary Information
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