SMILES:
CSCCCOc1cc(C)c(Br)c(C)c1Molecular Processing
Molecular formula
C12H17BrOS
Molecular weight
289.24
Exact mass
288.0183
XLogP
4.2
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.11
Supplementary Information
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