SMILES:
CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)c(Cl)n3)cccc12Molecular Processing
Molecular formula
C16H14BrClN4O2S
Molecular weight
441.74
Exact mass
439.9709
XLogP
3.91
TPSA
75.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
103.83
Supplementary Information
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