SMILES:
Brc1cccc(COC2CCSCC2)n1Molecular Processing
Molecular formula
C11H14BrNOS
Molecular weight
288.21
Exact mass
286.9979
XLogP
3.26
TPSA
22.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
67.07
Supplementary Information
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