SMILES:
Cc1ccc(CN)cc1BrMolecular Processing
Molecular formula
C8H10BrN
Molecular weight
200.08
Exact mass
198.9997
XLogP
2.22
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
46.77
Supplementary Information
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