Nombre: 3-hydroxy-3-methylaminomethyl-3,4-dihydro-2H-1,5-benzodioxepin hydrochloride
SMILES:
CNCC1(O)COc2ccccc2OC1.ClMolecular Processing
Molecular formula
C11H16ClNO3
Molecular weight
245.71
Exact mass
245.0819
XLogP
0.83
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
63.56
Supplementary Information
Obteniendo detalles…
Participa en 1 reacciones→