SMILES:
CC(C)(C)OC(=O)COc1cccc(C=NO)c1Molecular Processing
Molecular formula
C13H17NO4
Molecular weight
251.28
Exact mass
251.1158
XLogP
2.22
TPSA
68.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.16
Supplementary Information
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