Name: 2-[phenethyl]-5-[(3,4-methylenedioxy)-α-hydroxybenzyl]pyrrolidine hydrochloride
SMILES:
Cl.OC(c1ccc2c(c1)OCO2)C1CCC(CCc2ccccc2)N1Molecular Processing
Molecular formula
C20H24ClNO3
Molecular weight
361.87
Exact mass
361.1445
XLogP
3.62
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
99.48
Supplementary Information
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