SMILES:
Brc1csc(CN2CCOCC2)c1Molecular Processing
Molecular formula
C9H12BrNOS
Molecular weight
262.17
Exact mass
260.9823
XLogP
2.34
TPSA
12.47
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
0.556
Molar refractivity
58.12
Supplementary Information
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