SMILES:
CC(=O)C(C(=O)c1ccccc1)=C1CCCCN1Molecular Processing
Molecular formula
C15H17NO2
Molecular weight
243.31
Exact mass
243.1259
XLogP
2.49
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.33
Supplementary Information
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