SMILES:
O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccco4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C18H13N3O6
Molecular weight
367.32
Exact mass
367.0804
XLogP
0.93
TPSA
125.79
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
89.77
Supplementary Information
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