CC[C@@H](CN1CC2CCC(C1)O2)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
SMILES: CC[C@@H](CN1CC2CCC(C1)O2)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C30H36Cl2N2O4
Molecular weight
559.53
Exact mass
558.2052
XLogP
6.17
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
148.62

Supplementary Information

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