SMILES:
O=C(Nc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1)OCC(Cl)(Cl)ClMolecular Processing
Molecular formula
C18H11Cl3F3N5O3
Molecular weight
508.67
Exact mass
506.988
XLogP
4.43
TPSA
91.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
111.87
Supplementary Information
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