Nombre: (3-methylisoxazol-5-yl)methyl benzoate
SMILES:
Cc1cc(COC(=O)c2ccccc2)on1Molecular Processing
Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
2.34
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
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
0.167
Molar refractivity
56.8
Supplementary Information
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