SMILES:
CSCCOc1ccc(Br)cc1Molecular Processing
Molecular formula
C9H11BrOS
Molecular weight
247.16
Exact mass
245.9714
XLogP
3.19
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
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
0.333
Molar refractivity
58.02
Supplementary Information
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