Molecule

ID:46431

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrClNO
Molecular Mass
320.65306
Exact Mass
319.03385391
Charge
0
InChI
InChI=1S/C13H18BrNO.ClH/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11;/h1-4,11,15H,5-10H2;1H
InChIKey
ZLXMUSSGPPIMMY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(Br)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1762847
LogD (pH = 7.4)
0.28010526
Log P
3.055301
Molar Refractivity
69.7964
Polarizability
27.410826
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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