Name: cis 2-[phenethyl]-5-[(3,4-methylenedioxy)benzoyl]pyrrolidine
SMILES:
O=C(c1ccc2c(c1)OCO2)[C@@H]1CC[C@H](CCc2ccccc2)N1Molecular Processing
Molecular formula
C20H21NO3
Molecular weight
323.39
Exact mass
323.1521
XLogP
3.35
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
91.6
Supplementary Information
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