SMILES:
NC1CCN(Cc2cc3ncccc3o2)C1=OMolecular Processing
Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
0.89
TPSA
72.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
62.02
Supplementary Information
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