SMILES:
Cc1c(Br)cnc2nn(CC(C)(C#N)NC(=S)c3ccc(C(F)(F)F)cc3)nc12Molecular Processing
Molecular formula
C18H14BrF3N6S
Molecular weight
483.32
Exact mass
482.0136
XLogP
4.16
TPSA
79.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
108.06
Supplementary Information
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