COCCN1CC(CCCC1=O)C2=CC=CC=C2
Nom: 1-(2-methoxyethyl)-6-phenylazepan-2-one
SMILES: COCCN1CC(CCCC1=O)C2=CC=CC=C2

Molecular Processing

Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
2.43
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
71.49

Supplementary Information

InChIKey: ZJPZAKQXVOKIOB-UHFFFAOYSA-N
Synonymes
SCHEMBL1198466ZJPZAKQXVOKIOB-UHFFFAOYSA-N1-(2-Methoxyethyl)-6-phenylazepan-2-one
Voir la source →
Impliqué dans 15 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→