Nombre: (±)-trans-1,2,3,4,4a,5,6,7,8,8a-decahydro4a-(3-methoxyphenyl)-2-methyl-6-isoquinolinone
SMILES:
COc1cccc([C@]23CCN(C)C[C@@H]2CCC(=O)C3)c1Molecular Processing
Molecular formula
C17H23NO2
Molecular weight
273.38
Exact mass
273.1729
XLogP
2.64
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
79.13
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→