Molecule

ID:46432

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrClNO
Molecular Mass
320.65306
Exact Mass
319.03385391
Charge
0
InChI
InChI=1S/C13H18BrNO.ClH/c14-12-5-1-2-6-13(12)16-9-7-11-4-3-8-15-10-11;/h1-2,5-6,11,15H,3-4,7-10H2;1H
InChIKey
PVXOROZSPCLUHB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2c(Br)cccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10106738
LogD (pH = 7.4)
0.2749827
Log P
3.1332548
Molar Refractivity
69.7194
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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