FC(F)(F)c1sc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1-c1ccccc1
SMILES: FC(F)(F)c1sc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1-c1ccccc1

Molecular Processing

Molecular formula
C21H12F3N3OS
Molecular weight
411.41
Exact mass
411.0653
XLogP
6.63
TPSA
54.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
105.34

Supplementary Information

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