Name: 1-acetyl-6-bromo-1,2-dihydrospiro[indole-3,3′-thietane]
SMILES:
CC(=O)N1CC2(CSC2)c2ccc(Br)cc21Molecular Processing
Molecular formula
C12H12BrNOS
Molecular weight
298.2
Exact mass
296.9823
XLogP
2.8
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
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
0.417
Molar refractivity
71.17
Supplementary Information
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