CC1C([N+](=O)[O-])=CC(C(=O)O)=C(N)C1(N)C(N)=O
SMILES: CC1C([N+](=O)[O-])=CC(C(=O)O)=C(N)C1(N)C(N)=O

Molecular Processing

Molecular formula
C9H12N4O5
Molecular weight
256.22
Exact mass
256.0808
XLogP
-1.72
TPSA
175.57
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.2

Supplementary Information

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