SMILES:
O=C1OCCN1N=C1CCOc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C12H11N3O5
Molecular weight
277.24
Exact mass
277.0699
XLogP
1.53
TPSA
94.27
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.8
Supplementary Information
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