SMILES:
O=C(O)C1COCCN1Cc1ccccc1Molecular Processing
Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
0.97
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.09
Supplementary Information
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