COC(=O)C1=C(C)NC(C=O)=C(C(=O)OC)C1c1ccccc1C#N
SMILES: COC(=O)C1=C(C)NC(C=O)=C(C(=O)OC)C1c1ccccc1C#N

Molecular Processing

Molecular formula
C18H16N2O5
Molecular weight
340.34
Exact mass
340.1059
XLogP
1.32
TPSA
105.49
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
86.86

Supplementary Information

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