COc1ccc2c3c1O[C@H]1C(=O)C[C@@H](C)[C@@]4(OC)[C@@H](C2)NCC[C@]314.Cl
Name: 3,14-dimethoxy-4,5α-epoxy-8α-methylmorphinan-6-one hydrochloride
SMILES: COc1ccc2c3c1O[C@H]1C(=O)C[C@@H](C)[C@@]4(OC)[C@@H](C2)NCC[C@]314.Cl

Molecular Processing

Molecular formula
C19H24ClNO4
Molecular weight
365.86
Exact mass
365.1394
XLogP
2.03
TPSA
56.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.632
Molar refractivity
94.98

Supplementary Information

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