SMILES:
Cc1c(C(=O)O)ccc2[nH]ncc12Molecular Processing
Molecular formula
C9H8N2O2
Molecular weight
176.17
Exact mass
176.0586
XLogP
1.57
TPSA
65.98
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
47.79
Supplementary Information
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