Molecule
ID:69656
General Information
Molecular Formula
C₁₆H₉Br
Molecular Mass
281.14666
Exact Mass
279.98876229
Charge
0
InChI
InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKey
WCXFCLXZMIFHBU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c3c1cccc3c1c2cccc1
Isomeric Smiles
c1cc(c2cccc3c4ccccc4c1c23)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.05268
LogD (pH = 7.4)
5.05268
Log P
5.05268
Molar Refractivity
74.3454
Polarizability
32.12435
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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