Molecule

ID:52982

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₂O₂
Molecular Mass
236.9983264
Exact Mass
235.92844778
Charge
0
InChI
InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChIKey
SZRHWHHXVXSGMT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)OC(O2)(F)F
Isomeric Smiles
O1C(Oc2c1ccc(c2)Br)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7579763
LogD (pH = 7.4)
3.7579763
Log P
3.7579763
Molar Refractivity
37.5176
Polarizability
15.61728
Polar Surface Area
18.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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