SMILES:
CC(=O)c1ccc2[nH]nnc2c1Molecular Processing
Molecular formula
C8H7N3O
Molecular weight
161.16
Exact mass
161.0589
XLogP
1.16
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
43.89
Supplementary Information
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