SMILES:
O=C1COC[C@H](COCc2ccccc2)N1Molecular Processing
Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
0.72
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.85
Supplementary Information
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