SMILES:
N#CCC(=O)c1cccc(OC2CCCCCC2)n1Molecular Processing
Molecular formula
C15H18N2O2
Molecular weight
258.32
Exact mass
258.1368
XLogP
3.28
TPSA
62.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
70.92
Supplementary Information
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