SMILES:
C=CCCNCc1nnc2n1-c1ccc(C(F)(F)F)cc1C(c1ccccc1Cl)=NC2Molecular Processing
Molecular formula
C22H19ClF3N5
Molecular weight
445.88
Exact mass
445.1281
XLogP
4.96
TPSA
55.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.68
Supplementary Information
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