SMILES:
N#Cc1cccc(C2=Nc3cc(OCC4COC(=O)O4)c(C#Cc4ccccc4)cc3NC(=O)C2)c1Molecular Processing
Molecular formula
C28H19N3O5
Molecular weight
477.48
Exact mass
477.1325
XLogP
4.34
TPSA
110.01
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
131.18
Supplementary Information
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