Name: nalbuphine
SMILES:
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314Molecular Processing
Molecular formula
C21H27NO4
Molecular weight
357.45
Exact mass
357.194
XLogP
1.71
TPSA
73.16
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
6
Aromatic rings
1
Saturated rings
3
Aliphatic rings
5
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
95.41
Supplementary Information
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