SMILES:
CC(C)(C(=O)O)S(=O)(=O)c1ccc2c(-c3ccc(Cl)cc3)noc2c1Molecular Processing
Molecular formula
C17H14ClNO5S
Molecular weight
379.82
Exact mass
379.0281
XLogP
3.79
TPSA
97.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
93.36
Supplementary Information
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