CCOC(=O)c1c[nH]c2c(c1=O)C(=O)CCC2
Name: Ethyl-4,5-dioxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
SMILES: CCOC(=O)c1c[nH]c2c(c1=O)C(=O)CCC2

Molecular Processing

Molecular formula
C12H13NO4
Molecular weight
235.24
Exact mass
235.0845
XLogP
1.07
TPSA
76.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.29

Supplementary Information

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