SMILES:
OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCCOCc1ccccc1Molecular Processing
Molecular formula
C21H20F3NO2S
Molecular weight
407.46
Exact mass
407.1167
XLogP
5.47
TPSA
42.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
102.89
Supplementary Information
Details werden geladen…
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