CC(=O)c1cc(Cl)c2c(c1Cl)C(C)(C)CCS2(=O)=O
Name: 6-acetyl-5,8-dichloro-4,4-dimethylthiochroman-1,1-dioxide
SMILES: CC(=O)c1cc(Cl)c2c(c1Cl)C(C)(C)CCS2(=O)=O

Molecular Processing

Molecular formula
C13H14Cl2O3S
Molecular weight
321.23
Exact mass
320.0041
XLogP
3.65
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
76.16

Supplementary Information

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