Molecule

ID:76427

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂Br₈O
Molecular Mass
801.37568
Exact Mass
793.35726068
Charge
0
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H
InChIKey
ORYGKUIDIMIRNN-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Oc2cc(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br
Isomeric Smiles
Brc1cc(c(c(c1Br)Br)Br)Oc1c(c(c(c(c1)Br)Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.623554
LogD (pH = 7.4)
9.623554
Log P
9.623554
Molar Refractivity
113.2812
Polarizability
45.495502
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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