Molecule

ID:50814

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O
Molecular Mass
263.91406
Exact Mass
261.86288875
Charge
0
InChI
InChI=1S/C7H4Br2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
YDYNSAUGVGAOLO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Br)cccc1Br
Isomeric Smiles
c1(c(Br)cccc1Br)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2232535
LogD (pH = 7.4)
3.2232535
Log P
3.2232535
Molar Refractivity
47.8876
Polarizability
18.157278
Polar Surface Area
17.07
Rotatable Bonds
1
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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