SMILES:
COc1ccc(S(=O)(=O)C2CCNCC2)cc1.ClMolecular Processing
Molecular formula
C12H18ClNO3S
Molecular weight
291.8
Exact mass
291.0696
XLogP
1.64
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
73.32
Supplementary Information
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