N[C@@H]1CC[C@@H](c2cccc(F)c2F)C(CO)NC1=O
Nom: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-7-(hydroxymethyl)azepan-2-one
SMILES: N[C@@H]1CC[C@@H](c2cccc(F)c2F)C(CO)NC1=O

Molecular Processing

Molecular formula
C13H16F2N2O2
Molecular weight
270.28
Exact mass
270.118
XLogP
0.65
TPSA
75.35
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.32

Supplementary Information

Récupération des détails…

Impliqué dans 14 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→