CC(C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O
SMILES: CC(C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O

Molecular Processing

Molecular formula
C23H16ClN5O4
Molecular weight
461.87
Exact mass
461.0891
XLogP
3.58
TPSA
133.78
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
121.76

Supplementary Information

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