COC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3
SMILES: COC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

Molecular Processing

Molecular formula
C31H31Cl2NO7
Molecular weight
600.5
Exact mass
599.1478
XLogP
6.92
TPSA
83.53
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
153.83

Supplementary Information

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