SMILES:
N#CCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C9H8N4O3
Molecular weight
220.19
Exact mass
220.0596
XLogP
1.03
TPSA
122.05
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
56.37
Supplementary Information
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