COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1
SMILES: COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1

Molecular Processing

Molecular formula
C25H24ClNO6S
Molecular weight
501.99
Exact mass
501.1013
XLogP
4.12
TPSA
109.77
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
129.17

Supplementary Information

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