CN1[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)NC1CCC(O)CC1
SMILES: CN1[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)NC1CCC(O)CC1

Molecular Processing

Molecular formula
C30H36Cl2FN3O3
Molecular weight
576.54
Exact mass
575.2118
XLogP
5.64
TPSA
81.67
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
151.73

Supplementary Information

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