SMILES:
COc1ccc(C(C)(C)C#N)cc1BrMolecular Processing
Molecular formula
C11H12BrNO
Molecular weight
254.13
Exact mass
253.0102
XLogP
3.26
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
59.33
Supplementary Information
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