COc1cnc2c(NCc3cnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1
SMILES: COc1cnc2c(NCc3cnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1

Molecular Processing

Molecular formula
C22H15F3N6O
Molecular weight
436.4
Exact mass
436.1259
XLogP
4.38
TPSA
77.23
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
111.71

Supplementary Information

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