Name: dinitroaniline
SMILES:
O=[N+]([O-])N(c1ccccc1)[N+](=O)[O-]Molecular Processing
Molecular formula
C6H5N3O4
Molecular weight
183.12
Exact mass
183.028
XLogP
0.88
TPSA
89.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
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
Molar refractivity
42.91
Supplementary Information
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