SMILES:
COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CNCC(F)(F)F)c[nH]3)c3nccnc23)c1ClMolecular Processing
Molecular formula
C23H19Cl2F3N6O3
Molecular weight
555.34
Exact mass
554.0848
XLogP
5.25
TPSA
114.05
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
132.4
Supplementary Information
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