Name: 4-chloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
SMILES:
O=C(CCCCl)N1CCc2ccccc2C1Molecular Processing
Molecular formula
C13H16ClNO
Molecular weight
237.73
Exact mass
237.092
XLogP
2.59
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
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
0.462
Molar refractivity
65.52
Supplementary Information
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Involved in 5 reactions→