COC(=O)C(Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3
SMILES: COC(=O)C(Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

Molecular Processing

Molecular formula
C46H43Cl3N2O8
Molecular weight
858.22
Exact mass
856.2085
XLogP
9.97
TPSA
112.63
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
59
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.283
Molar refractivity
226.35

Supplementary Information

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