SMILES:
CC(O)C1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Nc2cc(Cl)cc(Cl)c2)CO1Molecular Processing
Molecular formula
C22H22Cl2N2O4
Molecular weight
449.33
Exact mass
448.0957
XLogP
4.32
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
117.01
Supplementary Information
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