SMILES:
CS(=O)(=O)[O-].CSc1cc[n+](CCS)cc1Molecular Processing
Molecular formula
C9H15NO3S3
Molecular weight
281.42
Exact mass
281.0214
XLogP
0.79
TPSA
61.08
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
67.89
Supplementary Information
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