SMILES:
Cc1cc(N)ccc1BrMolecular Processing
Molecular formula
C7H8BrN
Molecular weight
186.05
Exact mass
184.984
XLogP
2.34
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
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
0.143
Molar refractivity
43.29
Supplementary Information
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