SMILES:
CC(Oc1nc(Br)cnc1N)c1c(F)ccc(F)c1ClMolecular Processing
Molecular formula
C12H9BrClF2N3O
Molecular weight
364.58
Exact mass
362.9586
XLogP
3.89
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
74.56
Supplementary Information
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