CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C18H22N2O11
Molecular weight
442.38
Exact mass
442.1224
XLogP
-1.21
TPSA
169.29
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
98.53

Supplementary Information

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