O=C(O)C(CCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
SMILES: O=C(O)C(CCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

Molecular Processing

Molecular formula
C25H21ClN2O6S
Molecular weight
512.97
Exact mass
512.0809
XLogP
3.81
TPSA
120.85
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
129.68

Supplementary Information

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