C1CN2CCC1C3(C2)CC4=C(C=CN=C4O3)Cl
Nom: 4'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILES: C1CN2CCC1C3(C2)CC4=C(C=CN=C4O3)Cl

Molecular Processing

Molecular formula
C13H15ClN2O
Molecular weight
250.73
Exact mass
250.0873
XLogP
2.13
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
65.47

Supplementary Information

InChIKey: ZOWUTKIQMJXBEL-UHFFFAOYSA-N
Synonymes
SCHEMBL4201063ZOWUTKIQMJXBEL-UHFFFAOYSA-N4'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
Voir la source →
Impliqué dans 27 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→