Name: 2-aminomethyl-5-benzyloxy-pyran-4-one
SMILES:
NCc1cc(=O)c(OCc2ccccc2)co1Molecular Processing
Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
1.68
TPSA
65.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
63.64
Supplementary Information
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