SMILES:
COc1ccc(C2OCCO2)c2c1NC(=O)CC2Molecular Processing
Molecular formula
C13H15NO4
Molecular weight
249.27
Exact mass
249.1001
XLogP
1.63
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.59
Supplementary Information
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