SMILES:
O=C1CCC(N2C(=O)c3cccc(NC(=O)C4CC4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C17H15N3O5
Molecular weight
341.32
Exact mass
341.1012
XLogP
0.44
TPSA
112.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
84.47
Supplementary Information
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