Molecule
ID:120370
General Information
Molecular Formula
C₁₃H₂₇BrO
Molecular Mass
279.25688
Exact Mass
278.12452748
Charge
0
InChI
InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
InChIKey
FJBCXJNCEVECEC-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCCCBr
Isomeric Smiles
BrCCCCCCCCCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.909848
LogD (pH = 7.4)
4.909848
Log P
4.909848
Molar Refractivity
71.5071
Polarizability
27.897583
Polar Surface Area
20.23
Rotatable Bonds
12
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
No Data Available
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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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