Molecule

ID:98372

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂FO
Molecular Mass
295.9311032
Exact Mass
293.869117
Charge
0
InChI
InChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChIKey
NVCNENXQUDVWRV-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccc(c(c1)Br)F
Isomeric Smiles
O=C(c1ccc(c(c1)Br)F)CBr
Calculated Properties
JChem
Acid pKa
15.444446
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.165187
LogD (pH = 7.4)
3.165187
Log P
3.165187
Molar Refractivity
52.0367
Polarizability
19.778494
Polar Surface Area
17.07
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
References
Bioactivity
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