Br.Cc1cc(Cl)ccc1N=c1scc(-c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1C
SMILES: Br.Cc1cc(Cl)ccc1N=c1scc(-c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1C

Molecular Processing

Molecular formula
C19H20BrCl2N3O2S2
Molecular weight
537.33
Exact mass
534.9557
XLogP
5.43
TPSA
54.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.211
Molar refractivity
126.34

Supplementary Information

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