SMILES:
O=c1nc(NCc2ccccc2)n2c3c1cnn3C(c1cccc(C(F)(F)F)c1)=CC2Molecular Processing
Molecular formula
C22H16F3N5O
Molecular weight
423.4
Exact mass
423.1307
XLogP
4.13
TPSA
64.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
110.38
Supplementary Information
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