SMILES:
O=C(O)c1cc(S(=O)(=O)N2CCCC(OCc3ccccc3)C2)ccc1BrMolecular Processing
Molecular formula
C19H20BrNO5S
Molecular weight
454.34
Exact mass
453.0246
XLogP
3.52
TPSA
83.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
104.11
Supplementary Information
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