SMILES:
COc1ccc(N)c2c1CCC(NC(C)=O)C2=OMolecular Processing
Molecular formula
C13H16N2O3
Molecular weight
248.28
Exact mass
248.1161
XLogP
0.91
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.66
Supplementary Information
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