SMILES:
CCCCC1(CCC(C)=O)Cc2cc(NC(C)=O)ccc2C1=OMolecular Processing
Molecular formula
C19H25NO3
Molecular weight
315.41
Exact mass
315.1834
XLogP
3.93
TPSA
63.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
90.65
Supplementary Information
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