Molecule

ID:79455

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Br
Molecular Mass
255.19396
Exact Mass
254.06701261
Charge
0
InChI
InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3
InChIKey
YHKMTIJHJWYYAG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.922832
LogD (pH = 7.4)
5.922832
Log P
5.922832
Molar Refractivity
66.328
Polarizability
25.805
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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