SMILES:
CC(=O)c1cc(C#N)c(N)nc1CMolecular Processing
Molecular formula
C9H9N3O
Molecular weight
175.19
Exact mass
175.0746
XLogP
1.05
TPSA
79.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.11
Supplementary Information
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