SMILES:
CC(C)(C)C(=O)C(Br)C(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C19H18BrCl3O3S
Molecular weight
512.68
Exact mass
509.9226
XLogP
6.54
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
115.02
Supplementary Information
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