SMILES:
C#CC1(COC(=O)c2ccccc2)OC(n2cc(C)c(=O)[nH]c2=O)CC1OMolecular Processing
Molecular formula
C19H18N2O6
Molecular weight
370.36
Exact mass
370.1165
XLogP
0.35
TPSA
110.62
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.09
Supplementary Information
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