O=S(=O)(c1ccc(Cl)cc1)N1Cc2cnn(S(=O)(=O)c3ccc(Cl)cc3)c2CC1c1ccccc1
SMILES: O=S(=O)(c1ccc(Cl)cc1)N1Cc2cnn(S(=O)(=O)c3ccc(Cl)cc3)c2CC1c1ccccc1

Molecular Processing

Molecular formula
C24H19Cl2N3O4S2
Molecular weight
548.47
Exact mass
547.0194
XLogP
4.92
TPSA
89.34
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
133.33

Supplementary Information

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