SMILES:
O=C(O)c1cc2c(OCC3CC3)cccc2[nH]1Molecular Processing
Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
2.65
TPSA
62.32
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.48
Supplementary Information
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