SMILES:
O=C(O)Cn1c[nH+]c2ccccc21Molecular Processing
Molecular formula
C9H9N2O2+
Molecular weight
177.18
Exact mass
177.0659
XLogP
0.54
TPSA
56.37
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.13
Supplementary Information
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