이름: 3-tert-butyldimethylsilylmorphine
SMILES:
CN1CC[C@]23C4=C5O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1CC4=CCC5(O)[Si](C)(C)C(C)(C)CMolecular Processing
Molecular formula
C23H35NO3Si
Molecular weight
401.62
Exact mass
401.2386
XLogP
3.39
TPSA
52.93
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
28
Rings
5
Aromatic rings
0
Saturated rings
2
Aliphatic rings
5
Stereo centers
6
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
113.47
Supplementary Information
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