Molecule

ID:43897

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂O
Molecular Mass
279.95652
Exact Mass
277.89418888
Charge
0
InChI
InChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKey
CKXSBCXRNZGJJN-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1cccc(c1)Br
Isomeric Smiles
c1c(Br)cccc1OCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4343123
LogD (pH = 7.4)
3.4343123
Log P
3.4343123
Molar Refractivity
52.4708
Polarizability
20.428486
Polar Surface Area
9.23
Rotatable Bonds
3
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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