SMILES:
COc1cc(N2CCC(=O)CC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H14N2O4
Molecular weight
250.25
Exact mass
250.0954
XLogP
1.77
TPSA
72.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.1
Supplementary Information
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