Molecule

ID:120426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆BrClO
Molecular Mass
269.52174
Exact Mass
267.92905449
Charge
0
InChI
InChI=1S/C11H6BrClO/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H
InChIKey
ABBNELIHGHZIDT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1cccc2Br
Isomeric Smiles
c12c(C(=O)Cl)cccc1c(Br)ccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9223878
LogD (pH = 7.4)
3.9223878
Log P
3.9223878
Molar Refractivity
61.2457
Polarizability
24.307878
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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