SMILES:
Cc1cc(C)c(CSSCCN)[n+](-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.[Cl-]Molecular Processing
Molecular formula
C18H20ClF3N4S2
Molecular weight
448.97
Exact mass
448.077
XLogP
1.32
TPSA
58.58
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
104.91
Supplementary Information
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