Molecule

ID:92011

General Information
Structure
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Molecular Formula
C₁₃H₁₁Br
Molecular Mass
247.13044
Exact Mass
246.00441235
Charge
0
InChI
InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1)c1ccccc1
Isomeric Smiles
BrC(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5302234
LogD (pH = 7.4)
4.5302234
Log P
4.5302234
Molar Refractivity
63.1912
Polarizability
24.324116
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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