SMILES:
Cc1cc(=O)n(CC2OCCO2)c2ccccc12Molecular Processing
Molecular formula
C14H15NO3
Molecular weight
245.28
Exact mass
245.1052
XLogP
1.68
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.357
Molar refractivity
68.64
Supplementary Information
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