SMILES:
COCc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=OMolecular Processing
Molecular formula
C26H19ClF3N5O2
Molecular weight
525.92
Exact mass
525.1179
XLogP
5.49
TPSA
74.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
132.18
Supplementary Information
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