SMILES:
Oc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Molecular Processing
Molecular formula
C12H8BrN3O
Molecular weight
290.12
Exact mass
288.9851
XLogP
3.09
TPSA
61.8
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
68.69
Supplementary Information
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