CC(C)CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(Cl)c(-c2cc(Cl)ccc2C#N)cc1=O
SMILES: CC(C)CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(Cl)c(-c2cc(Cl)ccc2C#N)cc1=O

Molecular Processing

Molecular formula
C25H21Cl2N3O4
Molecular weight
498.37
Exact mass
497.0909
XLogP
5.62
TPSA
112.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
131.4

Supplementary Information

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