Nombre: (4aR,8aR)-1-benzyl-4,4-diethoxyoctahydroquinolin-4a(2H)-ol
SMILES:
CCOC1(OCC)CCN(Cc2ccccc2)[C@@H]2CCCC[C@@]21OMolecular Processing
Molecular formula
C20H31NO3
Molecular weight
333.47
Exact mass
333.2304
XLogP
3.34
TPSA
41.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
94.66
Supplementary Information
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