SMILES:
COC(=O)c1cc(Br)cn(Cc2ccc(Cl)cc2)c1=OMolecular Processing
Molecular formula
C14H11BrClNO3
Molecular weight
356.6
Exact mass
354.9611
XLogP
3.1
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
80.3
Supplementary Information
Récupération des détails…
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