Name: 4-nitro-2-(pyridin-2-ylethynyl)aniline
SMILES:
Nc1ccc([N+](=O)[O-])cc1C#Cc1ccccn1Molecular Processing
Molecular formula
C13H9N3O2
Molecular weight
239.23
Exact mass
239.0695
XLogP
1.97
TPSA
82.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
67.73
Supplementary Information
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