Name: product
SMILES:
CCOC(=O)c1c(Cl)c2cc([N+](=O)[O-])ccc2n1CMolecular Processing
Molecular formula
C12H11ClN2O4
Molecular weight
282.68
Exact mass
282.0407
XLogP
2.92
TPSA
74.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
70.54
Supplementary Information
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