Name: (2S,4S)-1-[[N-(4-Carboxybicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILES:
N#C[C@@H]1C[C@H](F)CN1C(=O)CNC12CCC(C(=O)O)(CC1)CC2Molecular Processing
Molecular formula
C16H22FN3O3
Molecular weight
323.37
Exact mass
323.1645
XLogP
1.22
TPSA
93.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
79.13
Supplementary Information
Details werden geladen…
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