Name: 1-acetyl-6-bromo-1,2,2′,3′,5′,6′-hexahydrospiro[indole-3,4′-thiopyran]1′,1′-dioxide
SMILES:
CC(=O)N1CC2(CCS(=O)(=O)CC2)c2ccc(Br)cc21Molecular Processing
Molecular formula
C14H16BrNO3S
Molecular weight
358.26
Exact mass
357.0034
XLogP
2.26
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.73
Supplementary Information
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