SMILES:
CC(C#N)(Cn1cc2ncc(Br)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1FMolecular Processing
Molecular formula
C18H12BrF4N5O2
Molecular weight
486.22
Exact mass
485.011
XLogP
3.94
TPSA
92.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
99.8
Supplementary Information
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