SMILES:
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Br)cc1Molecular Processing
Molecular formula
C15H16BrClN2O2S
Molecular weight
403.73
Exact mass
401.9804
XLogP
4.6
TPSA
59.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
92.9
Supplementary Information
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