Name: 3-(methylamino)-4-nitrobenzonitrile
SMILES:
CNc1cc(C#N)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H7N3O2
Molecular weight
177.16
Exact mass
177.0538
XLogP
1.51
TPSA
78.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.36
Supplementary Information
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