SMILES:
Cc1sc2c(C(C)(C)C)cccc2c1BrMolecular Processing
Molecular formula
C13H15BrS
Molecular weight
283.23
Exact mass
282.0078
XLogP
5.27
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.96
Supplementary Information
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