SMILES:
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.CS(=O)(=O)[O-]Molecular Processing
Molecular formula
C17H19ClNO5S2-
Molecular weight
416.93
Exact mass
416.0399
XLogP
2.84
TPSA
86.74
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
-1
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.353
Molar refractivity
100.26
Supplementary Information
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