SMILES:
Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2ccn(CC(=O)O)c2c1Molecular Processing
Molecular formula
C23H19F3N2O3S
Molecular weight
460.48
Exact mass
460.1068
XLogP
5.8
TPSA
64.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
116.06
Supplementary Information
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