SMILES:
CCN1CCc2cc(C#N)c(O)nc2CC1Molecular Processing
Molecular formula
C12H15N3O
Molecular weight
217.27
Exact mass
217.1215
XLogP
1.08
TPSA
60.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.14
Supplementary Information
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