SMILES:
CCOC(=O)C1CC(c2ccc3ccccc3c2)c2c(Cl)cc(Cl)cc2N1Molecular Processing
Molecular formula
C22H19Cl2NO2
Molecular weight
400.31
Exact mass
399.0793
XLogP
6.03
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
110.91
Supplementary Information
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