SMILES:
O=C(O)COc1ccc(SCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c2c1CCC2Molecular Processing
Molecular formula
C22H18F3NO4S
Molecular weight
449.45
Exact mass
449.0909
XLogP
5.6
TPSA
72.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.1
Supplementary Information
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