CC(C)c1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)N(C=O)CCCO3
SMILES: CC(C)c1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)N(C=O)CCCO3

Molecular Processing

Molecular formula
C22H20ClNO4
Molecular weight
397.86
Exact mass
397.1081
XLogP
4.98
TPSA
59.75
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.54

Supplementary Information

Récupération des détails…

Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→