SMILES:
Br.CN1C(=Nc2ccccc2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1Molecular Processing
Molecular formula
C16H17BrClN3O3S2
Molecular weight
478.82
Exact mass
476.9583
XLogP
3.08
TPSA
95.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.188
Molar refractivity
110.8
Supplementary Information
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