SMILES:
CSc1ccc(Br)c(C)c1CMolecular Processing
Molecular formula
C9H11BrS
Molecular weight
231.16
Exact mass
229.9765
XLogP
3.79
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.4
Supplementary Information
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