SMILES:
Nc1nc(OCc2ccccc2)c([N+](=O)[O-])c(-c2ccco2)n1Molecular Processing
Molecular formula
C15H12N4O4
Molecular weight
312.29
Exact mass
312.0859
XLogP
2.81
TPSA
117.31
H-bond donors
1
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
81.57
Supplementary Information
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