Name: product
SMILES:
CC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCC(=O)C(C)(C)CMolecular Processing
Molecular formula
C25H23Cl2NO3
Molecular weight
456.37
Exact mass
455.1055
XLogP
6.92
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
125.09
Supplementary Information
Details werden geladen…
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