FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1
SMILES: FC(F)(F)c1sc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1-c1ccccc1

Molecular Processing

Molecular formula
C21H14F3N3OS
Molecular weight
413.42
Exact mass
413.081
XLogP
6.12
TPSA
50.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
105.68

Supplementary Information

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