SMILES:
O=C(O)CCCSc1cccc(Br)c1Molecular Processing
Molecular formula
C10H11BrO2S
Molecular weight
275.17
Exact mass
273.9663
XLogP
3.41
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.74
Supplementary Information
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