SMILES:
CCC(=O)C1=C(O)C(c2ccc(C)c(S(=O)(=O)Cl)c2)CCC1=OMolecular Processing
Molecular formula
C16H17ClO5S
Molecular weight
356.83
Exact mass
356.0485
XLogP
3.16
TPSA
88.51
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
86.15
Supplementary Information
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