COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2)cc1.Cl
Name: (2S)-2-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]-l-(L-prolyl)pyrrolidine hydrochloride
SMILES: COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2)cc1.Cl

Molecular Processing

Molecular formula
C18H27ClN2O4
Molecular weight
370.88
Exact mass
370.1659
XLogP
1.6
TPSA
71.03
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.611
Molar refractivity
97.5

Supplementary Information

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