Name: 2-benzyl-6-[(3R,4R)-3,4-ethylenedioxypyrrolidine-1-yl]-3-iodopyridine
SMILES:
Ic1ccc(N2C[C@H]3OCCO[C@@H]3C2)nc1Cc1ccccc1Molecular Processing
Molecular formula
C18H19IN2O2
Molecular weight
422.27
Exact mass
422.0491
XLogP
2.88
TPSA
34.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
97.9
Supplementary Information
Details werden geladen…
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