Название: (6S,9aR)-6-(4-chlorophenyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILES:
O=C1CC=C[C@H]2CCC[C@@H](c3ccc(Cl)cc3)N12Molecular Processing
Molecular formula
C15H16ClNO
Molecular weight
261.75
Exact mass
261.092
XLogP
3.72
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
72.44
Supplementary Information
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