SMILES:
O=S(=O)(NCC1CCN(C[C@H]2COc3ccc(Br)cc3O2)CC1)c1cccc(Cl)c1ClMolecular Processing
Molecular formula
C21H23BrCl2N2O4S
Molecular weight
550.3
Exact mass
547.9939
XLogP
4.59
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
124.87
Supplementary Information
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