SMILES:
CCOC(=O)C1Nc2cc(Cl)cc(Cl)c2C(c2cc(OC)c(OC)cc2OC)C1CMolecular Processing
Molecular formula
C22H25Cl2NO5
Molecular weight
454.35
Exact mass
453.111
XLogP
5.14
TPSA
66.02
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
117.61
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→