C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
Name: 1-azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate
SMILES: C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

Molecular Processing

Molecular formula
C21H29NO2
Molecular weight
327.47
Exact mass
327.2198
XLogP
3.92
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
94.87

Supplementary Information

InChIKey: VOWQGVADNCNFKU-UHFFFAOYSA-N
Synonyme
SCHEMBL1039121
Quelle anzeigen →
An 68 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→