CCOC(=O)C1(C(=O)OCC)Oc2ccc(C[C@@H](C)N3C[C@@H](c4cccc(Cl)c4)OC3=O)cc2O1
SMILES: CCOC(=O)C1(C(=O)OCC)Oc2ccc(C[C@@H](C)N3C[C@@H](c4cccc(Cl)c4)OC3=O)cc2O1

Molecular Processing

Molecular formula
C25H26ClNO8
Molecular weight
503.94
Exact mass
503.1347
XLogP
4.06
TPSA
100.6
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
124.24

Supplementary Information

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