O=C(O)C(F)(F)F.O=C(O)c1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1
Name: Compound 40
SMILES: O=C(O)C(F)(F)F.O=C(O)c1ccc(-c2c(/C=C/c3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1

Molecular Processing

Molecular formula
C30H24F3N5O5
Molecular weight
591.55
Exact mass
591.173
XLogP
5.28
TPSA
130.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
43
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
152.78

Supplementary Information

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