SMILES:
Cc1sc2c(C(C)(C)O)cccc2c1BrMolecular Processing
Molecular formula
C12H13BrOS
Molecular weight
285.21
Exact mass
283.987
XLogP
4.2
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
69.51
Supplementary Information
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