SMILES:
COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(S(=O)(=O)N(CCC[N+](C)(C)C)Cc4ccc(C(=O)O)cc4)cc3F)n2-c2ccc(F)cc2)ccc1Cl.[Cl-]Molecular Processing
Molecular formula
C40H43Cl2F3N4O5S2
Molecular weight
851.84
Exact mass
850.2004
XLogP
5.56
TPSA
101.73
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
56
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
208.09
Supplementary Information
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