Molecule
ID:92131
General Information
Molecular Formula
C₁₇H₁₁Br
Molecular Mass
295.17324
Exact Mass
294.00441235
Charge
0
InChI
InChI=1S/C17H11Br/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2
InChIKey
UGMXRPVWWWDPFC-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
BrCc1ccc2ccc3cccc4c3c2c1cc4
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.056665
LogD (pH = 7.4)
5.056665
Log P
5.056665
Molar Refractivity
79.573
Polarizability
33.857334
Polar Surface Area
0.0
Rotatable Bonds
1
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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