Name: 4-methoxy-3-nitro-benzonitrile
SMILES:
COc1ccc(C#N)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H6N2O3
Molecular weight
178.15
Exact mass
178.0378
XLogP
1.48
TPSA
76.16
H-bond donors
0
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
44.36
Supplementary Information
Details werden geladen…
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