SMILES:
CCCCc1nc(C(C)(O)CC)c(C#N)[nH]1Molecular Processing
Molecular formula
C12H19N3O
Molecular weight
221.3
Exact mass
221.1528
XLogP
2.24
TPSA
72.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
61.78
Supplementary Information
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