SMILES:
Nc1nc(NCc2ccccc2)c([N+](=O)[O-])c(-c2ccco2)n1Molecular Processing
Molecular formula
C15H13N5O3
Molecular weight
311.3
Exact mass
311.1018
XLogP
2.84
TPSA
120.11
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
84.57
Supplementary Information
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