SMILES:
CCc1ccc(Br)cn1Molecular Processing
Molecular formula
C7H8BrN
Molecular weight
186.05
Exact mass
184.984
XLogP
2.41
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
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
0.286
Molar refractivity
41.32
Supplementary Information
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