SMILES:
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(C(F)(F)F)c2)c1Molecular Processing
Molecular formula
C23H18F6N4O3
Molecular weight
512.41
Exact mass
512.1283
XLogP
4.88
TPSA
87.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
116.39
Supplementary Information
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