SMILES:
COc1ccc2nc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)sc2c1Molecular Processing
Molecular formula
C18H13F3N4O3S2
Molecular weight
454.46
Exact mass
454.0381
XLogP
3.82
TPSA
100.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
105.11
Supplementary Information
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