SMILES:
Cc1c(Br)cc(C(C)(C)C)c(O)c1C1=Nc2cc(Cl)ccc2S(=O)(=O)N1Molecular Processing
Molecular formula
C18H18BrClN2O3S
Molecular weight
457.78
Exact mass
455.991
XLogP
4.78
TPSA
78.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
107.21
Supplementary Information
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