SMILES:
CCOC(=O)c1cccc2c1CCCC2C#NMolecular Processing
Molecular formula
C14H15NO2
Molecular weight
229.28
Exact mass
229.1103
XLogP
2.81
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
63.69
Supplementary Information
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