SMILES:
C=CC(=O)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1Molecular Processing
Molecular formula
C17H14BrFO3
Molecular weight
365.2
Exact mass
364.011
XLogP
4.9
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
85.91
Supplementary Information
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