SMILES:
NC1=N[C@@]2(CC(c3ccccc3)Oc3ccc(-c4cncnc4)cc32)C(F)(F)CO1Molecular Processing
Molecular formula
C22H18F2N4O2
Molecular weight
408.41
Exact mass
408.1398
XLogP
3.84
TPSA
82.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
106.1
Supplementary Information
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