SMILES:
Fc1ccc(Br)c(OC2CCN(c3ncc(Br)cn3)CC2)c1Molecular Processing
Molecular formula
C15H14Br2FN3O
Molecular weight
431.1
Exact mass
428.9488
XLogP
4.19
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
89.7
Supplementary Information
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