Name: 1-(4-bromo-phenylsulfanyl)-propan-2-one
SMILES:
CC(=O)CSc1ccc(Br)cc1Molecular Processing
Molecular formula
C9H9BrOS
Molecular weight
245.14
Exact mass
243.9557
XLogP
3.13
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.55
Supplementary Information
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