SMILES:
O=C1OC(=O)c2cnccc21Molecular Processing
Molecular formula
C7H3NO3
Molecular weight
149.1
Exact mass
149.0113
XLogP
0.39
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.98
Supplementary Information
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