이름: 4,5-epoxy-17-methyl-3-vinylmorphinan-6-one
SMILES:
C=Cc1ccc2c3c1OC1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314Molecular Processing
Molecular formula
C19H21NO2
Molecular weight
295.38
Exact mass
295.1572
XLogP
2.57
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
85.1
Supplementary Information
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