名称: 7-bromo-3,4-dihydroisoquinolin-1(2H)-one
SMILES:
O=C1NCCc2ccc(Br)cc21Molecular Processing
Molecular formula
C9H8BrNO
Molecular weight
226.07
Exact mass
224.9789
XLogP
1.73
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.18
Supplementary Information
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