Molecule

ID:71740

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂O
Molecular Mass
225.86608
Exact Mass
223.84723868
Charge
0
InChI
InChI=1S/C4H2Br2O/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
LACYYWKMIJOHLU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(o1)Br
Isomeric Smiles
o1c(ccc1Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0517075
LogD (pH = 7.4)
2.0517075
Log P
2.0517075
Molar Refractivity
33.381
Polarizability
13.542685
Polar Surface Area
13.14
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
No Data Available
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Molecule Details
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References
Bioactivity
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