SMILES:
Cc1ccc([N+](=O)[O-])c(C#N)c1Molecular Processing
Molecular formula
C8H6N2O2
Molecular weight
162.15
Exact mass
162.0429
XLogP
1.77
TPSA
66.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.55
Supplementary Information
Details werden geladen…
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