CC(O)(COC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl
SMILES: CC(O)(COC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

Molecular Processing

Molecular formula
C20H22ClF3N4O6
Molecular weight
506.87
Exact mass
506.118
XLogP
3.89
TPSA
119.96
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
112.53

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→