SMILES:
CC(=O)C(CCc1ccc([N+](=O)[O-])cc1)C(=O)OMolecular Processing
Molecular formula
C12H13NO5
Molecular weight
251.24
Exact mass
251.0794
XLogP
1.82
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.22
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→