Molecule

ID:93452

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Br₂F₂O
Molecular Mass
404.0441064
Exact Mass
401.90664538
Charge
0
InChI
InChI=1S/C15H10Br2F2O/c16-13(9-1-5-11(18)6-2-9)14(17)15(20)10-3-7-12(19)8-4-10/h1-8,13-14H
InChIKey
MDNPWHBTZZOMEX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(C(C(=O)c1ccc(cc1)F)Br)Br
Isomeric Smiles
Fc1ccc(cc1)C(C(C(=O)c1ccc(cc1)F)Br)Br
Calculated Properties
JChem
Acid pKa
15.065482
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.385318
LogD (pH = 7.4)
5.385318
Log P
5.385318
Molar Refractivity
80.9852
Polarizability
30.589357
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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