SMILES:
O=C(OCc1ccccc1)C1=CCC2CC(=O)N12Molecular Processing
Molecular formula
C14H13NO3
Molecular weight
243.26
Exact mass
243.0895
XLogP
1.62
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
64.19
Supplementary Information
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