SMILES:
CC(C)(C(=O)c1ccc(SCCS)cc1)N1CCOCC1Molecular Processing
Molecular formula
C16H23NO2S2
Molecular weight
325.5
Exact mass
325.117
XLogP
3
TPSA
29.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
91.82
Supplementary Information
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