SMILES:
CCC(C)Nc1cc(C(=O)OC)c(C)cc1C#NMolecular Processing
Molecular formula
C14H18N2O2
Molecular weight
246.31
Exact mass
246.1368
XLogP
2.86
TPSA
62.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
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
0.429
Molar refractivity
70.61
Supplementary Information
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