SMILES:
COc1c(-c2ccccc2)c[n+](C)cc1-c1cccc(Br)c1.CS(=O)(=O)[O-]Molecular Processing
Molecular formula
C20H20BrNO4S
Molecular weight
450.35
Exact mass
449.0296
XLogP
3.78
TPSA
70.31
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.15
Molar refractivity
108.36
Supplementary Information
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