SMILES:
CC1c2cc(F)c(F)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1Molecular Processing
Molecular formula
C17H13BrF2N4O
Molecular weight
407.22
Exact mass
406.0241
XLogP
3.53
TPSA
50.5
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
90.2
Supplementary Information
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