Name: 4a
SMILES:
C#Cc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C8H5NO2
Molecular weight
147.13
Exact mass
147.032
XLogP
1.58
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.03
Supplementary Information
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