Nom: 1-(3,4-methylenedioxyphenyl)-2-aminoethanol hydrochloride
SMILES:
Cl.NCC(O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H12ClNO3
Molecular weight
217.65
Exact mass
217.0506
XLogP
0.83
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
53.83
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→