CC1CC(c2ccncc2[N+](=O)[O-])=CC(N=[N+]=[N-])C1O
SMILES: CC1CC(c2ccncc2[N+](=O)[O-])=CC(N=[N+]=[N-])C1O

Molecular Processing

Molecular formula
C12H13N5O3
Molecular weight
275.27
Exact mass
275.1018
XLogP
2.45
TPSA
125.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
71.59

Supplementary Information

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