O=C1CNN(c2cc(Cl)c(C(C(=O)O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1
SMILES: O=C1CNN(c2cc(Cl)c(C(C(=O)O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1

Molecular Processing

Molecular formula
C17H12Cl3N3O4
Molecular weight
428.66
Exact mass
426.9893
XLogP
3.42
TPSA
98.74
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
101.41

Supplementary Information

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