SMILES:
Cc1c(C=NNC(=O)CC#N)[n+]([O-])c2ccccc2[n+]1[O-]Molecular Processing
Molecular formula
C13H11N5O3
Molecular weight
285.26
Exact mass
285.0862
XLogP
-0.22
TPSA
119.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
72.57
Supplementary Information
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