SMILES:
O=[N+]([O-])c1ccccc1OC1CCNCC1Molecular Processing
Molecular formula
C11H14N2O3
Molecular weight
222.24
Exact mass
222.1004
XLogP
1.73
TPSA
64.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
59.62
Supplementary Information
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