Molecule

ID:79438

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁BrO
Molecular Mass
285.21994
Exact Mass
284.07757729
Charge
0
InChI
InChI=1S/C14H21BrO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12H2,1H3
InChIKey
UVBFFPZGOOKWNR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)OCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.686501
LogD (pH = 7.4)
5.686501
Log P
5.686501
Molar Refractivity
72.4216
Polarizability
28.419668
Polar Surface Area
9.23
Rotatable Bonds
8
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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