Name: 1-acetyl-6-bromo-1,2,2′,3′,5′,6′-hexahydrospiro[indole-3,4′-thiopyran]
SMILES:
CC(=O)N1CC2(CCSCC2)c2ccc(Br)cc21Molecular Processing
Molecular formula
C14H16BrNOS
Molecular weight
326.26
Exact mass
325.0136
XLogP
3.58
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.41
Supplementary Information
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