SMILES:
CNc1nc(Cl)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1Molecular Processing
Molecular formula
C18H20ClF3N6O
Molecular weight
428.85
Exact mass
428.1339
XLogP
3.12
TPSA
83.04
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
102.61
Supplementary Information
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