SMILES:
CC(=O)c1ccc2cc(Br)ccc2c1Molecular Processing
Molecular formula
C12H9BrO
Molecular weight
249.11
Exact mass
247.9837
XLogP
3.8
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
61.65
Supplementary Information
Details werden geladen…
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