SMILES:
CCNCC(O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C11H15NO3
Molecular weight
209.24
Exact mass
209.1052
XLogP
1.06
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
56.07
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→