Name: 5-Nitro-2-[1,2,4]triazol-1-yl-benzonitrile
SMILES:
N#Cc1cc([N+](=O)[O-])ccc1-n1cncn1Molecular Processing
Molecular formula
C9H5N5O2
Molecular weight
215.17
Exact mass
215.0443
XLogP
1.05
TPSA
97.64
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
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
52.73
Supplementary Information
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