SMILES:
COC(=O)c1cc2cccc(Br)c2s1Molecular Processing
Molecular formula
C10H7BrO2S
Molecular weight
271.13
Exact mass
269.935
XLogP
3.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
60.86
Supplementary Information
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