SMILES:
CC(C)C(O)c1cc(C#N)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C11H12N2O3
Molecular weight
220.23
Exact mass
220.0848
XLogP
2.16
TPSA
87.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.61
Supplementary Information
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