Nombre: octahydro-4a-(3-methoxyphenyl)-2-methyl-cis-6(2H)-isoquinolinone ethylene ketal
SMILES:
COc1cccc([C@]23CCN(C)C[C@H]2CCC2(C3)OCCO2)c1Molecular Processing
Molecular formula
C19H27NO3
Molecular weight
317.43
Exact mass
317.1991
XLogP
2.81
TPSA
30.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
88.76
Supplementary Information
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