SMILES:
CSc1c(C(=O)O)ccc(Br)c1ClMolecular Processing
Molecular formula
C8H6BrClO2S
Molecular weight
281.56
Exact mass
279.896
XLogP
3.52
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.89
Supplementary Information
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