SMILES:
Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1.Clc1ccc([C@@H]2CNCCO2)cc1ClMolecular Processing
Molecular formula
C30H29Cl2NO9
Molecular weight
618.47
Exact mass
617.1219
XLogP
4.88
TPSA
148.46
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.267
Molar refractivity
154.06
Supplementary Information
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