Nom: 4-[(3S)-3-fluoro-1-pyrrolidinyl]-1-[3-(methyloxy)-4-nitrophenyl]piperidine
SMILES:
COc1cc(N2CCC(N3CC[C@H](F)C3)CC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C16H22FN3O3
Molecular weight
323.37
Exact mass
323.1645
XLogP
2.62
TPSA
58.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
85.97
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→