O=C(CBr)CSc1ccccc1
الاسم: 1-bromo-3-phenylthio-2-propanone
SMILES: O=C(CBr)CSc1ccccc1

Molecular Processing

Molecular formula
C9H9BrOS
Molecular weight
245.14
Exact mass
243.9557
XLogP
2.74
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
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
55.97

Supplementary Information

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