SMILES:
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)nccc34)no2)cc1C#NMolecular Processing
Molecular formula
C24H20N4O4
Molecular weight
428.45
Exact mass
428.1485
XLogP
4.63
TPSA
122.13
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
116.91
Supplementary Information
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