SMILES:
C=CCOc1ccc2c(c1)C(=O)NC(C)(C)O2Molecular Processing
Molecular formula
C13H15NO3
Molecular weight
233.27
Exact mass
233.1052
XLogP
2.11
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
64.31
Supplementary Information
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