SMILES:
COCC(C)Oc1cc(Cl)cnc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H11ClN2O4
Molecular weight
246.65
Exact mass
246.0407
XLogP
2.06
TPSA
74.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
57.87
Supplementary Information
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