Molecule

ID:79437

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrO
Molecular Mass
271.19336
Exact Mass
270.06192723
Charge
0
InChI
InChI=1S/C13H19BrO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11H2,1H3
InChIKey
DSCVEUSJTAFLBF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2419324
LogD (pH = 7.4)
5.2419324
Log P
5.2419324
Molar Refractivity
67.8206
Polarizability
26.587753
Polar Surface Area
9.23
Rotatable Bonds
7
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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