C1CN2CCC1C(C2=CC3=CN=CC=C3)O
Название: 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
SMILES: C1CN2CCC1C(C2=CC3=CN=CC=C3)O

Molecular Processing

Molecular formula
C13H16N2O
Molecular weight
216.28
Exact mass
216.1263
XLogP
1.51
TPSA
36.36
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.52

Supplementary Information

InChIKey: PNAGJITYPPYEBX-UHFFFAOYSA-N
Синонимы
SCHEMBL701083PNAGJITYPPYEBX-UHFFFAOYSA-N2-((3-Pyridyl)methylene)-1-azabicyclo[2.2.2]octan-3-ol2-((3pyridyl)methylene)-1-azabicyclo[2.2.2]octan-3-ol2-((3-pyridinyl)methylene)-1-azabicyclo[2.2.2]octan-3-ol
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