SMILES:
COC(C)COc1ccc(Br)cc1C#NMolecular Processing
Molecular formula
C11H12BrNO2
Molecular weight
270.13
Exact mass
269.0051
XLogP
2.73
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.82
Supplementary Information
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