CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC(O)CO3)c(Cn3c(Cl)c(Cl)sc3=O)sc21
SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC(O)CO3)c(Cn3c(Cl)c(Cl)sc3=O)sc21

Molecular Processing

Molecular formula
C19H20Cl2N4O6S2
Molecular weight
535.43
Exact mass
534.0201
XLogP
1.74
TPSA
115.77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
126.86

Supplementary Information

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