Name: 5-[(1H-Imidazol-1-yl)methyl]-2-nitrobenzeneamine
SMILES:
Nc1cc(Cn2ccnc2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C10H10N4O2
Molecular weight
218.22
Exact mass
218.0804
XLogP
1.42
TPSA
86.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
58.84
Supplementary Information
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