이름: acetic acid 2-benzo[1,3]dioxol-5-yl-1-(6-methyl-pyridin-2-yl)-2-oxo-ethyl ester
SMILES:
CC(=O)OC(C(=O)c1ccc2c(c1)OCO2)c1cccc(C)n1Molecular Processing
Molecular formula
C17H15NO5
Molecular weight
313.31
Exact mass
313.095
XLogP
2.61
TPSA
74.72
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
80.38
Supplementary Information
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