SMILES:
CCC(N)COc1cccc(N)c1C#NMolecular Processing
Molecular formula
C11H15N3O
Molecular weight
205.26
Exact mass
205.1215
XLogP
1.26
TPSA
85.06
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
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
0.364
Molar refractivity
59.33
Supplementary Information
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