SMILES:
COC(=CC(=O)O)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1Molecular Processing
Molecular formula
C18H16BrFO5
Molecular weight
411.22
Exact mass
410.0165
XLogP
4.76
TPSA
64.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
93.43
Supplementary Information
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