Name: sulfone
SMILES:
CS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(O)nc2n1Molecular Processing
Molecular formula
C14H10ClN3O3S
Molecular weight
335.77
Exact mass
335.0131
XLogP
2.45
TPSA
93.04
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
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
0.071
Molar refractivity
82.55
Supplementary Information
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