SMILES:
O=S1(=O)CCC2(CC1)CNc1cc(Br)ccc12Molecular Processing
Molecular formula
C12H14BrNO2S
Molecular weight
316.22
Exact mass
314.9929
XLogP
2.32
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.2
Supplementary Information
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