SMILES:
CC1(C#Cc2cnc3c(c2)C2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1Molecular Processing
Molecular formula
C25H19FN4O3
Molecular weight
442.45
Exact mass
442.1441
XLogP
3.36
TPSA
91.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
118.1
Supplementary Information
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