SMILES:
N#Cc1ccc2c(c1)C(=O)OC2Molecular Processing
Molecular formula
C9H5NO2
Molecular weight
159.14
Exact mass
159.032
XLogP
1.23
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
40.28
Supplementary Information
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