Molecule

ID:97610

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃O
Molecular Mass
241.0052696
Exact Mass
239.93976141
Charge
0
InChI
InChI=1S/C7H4BrF3O/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,7H
InChIKey
PMRMESFXMAREHL-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cc(Br)ccc1F)F
Isomeric Smiles
O(c1cc(ccc1F)Br)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6537874
LogD (pH = 7.4)
3.6537874
Log P
3.6537874
Molar Refractivity
40.3693
Polarizability
15.4395685
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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