SMILES:
CCOC(=O)CNC(=O)c1c(O)c2cc(C#N)ccc2n(C)c1=OMolecular Processing
Molecular formula
C16H15N3O5
Molecular weight
329.31
Exact mass
329.1012
XLogP
0.41
TPSA
121.42
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.54
Supplementary Information
Récupération des détails…
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