SMILES:
Cl.N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)OMolecular Processing
Molecular formula
C9H11ClN2O4
Molecular weight
246.65
Exact mass
246.0407
XLogP
0.97
TPSA
106.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
59.66
Supplementary Information
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