SMILES:
COc1ccc2nc(S(=O)Cc3nccc(OCC(F)(F)F)c3OC)[nH]c2c1Molecular Processing
Molecular formula
C17H16F3N3O4S
Molecular weight
415.39
Exact mass
415.0814
XLogP
3.22
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
95.1
Supplementary Information
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