Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2ccc(-c3ccc(C(=O)O)cc3)cc21
SMILES: Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2ccc(-c3ccc(C(=O)O)cc3)cc21

Molecular Processing

Molecular formula
C21H17NO7
Molecular weight
395.37
Exact mass
395.1005
XLogP
2.66
TPSA
133.9
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
104.45

Supplementary Information

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