Molecule

ID:47345

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO
Molecular Mass
292.5999
Exact Mass
291.00255379
Charge
0
InChI
InChI=1S/C11H14BrNO.ClH/c12-10-3-1-2-9(6-10)8-14-11-4-5-13-7-11;/h1-3,6,11,13H,4-5,7-8H2;1H
InChIKey
XOMHNLJQUXVFMB-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)COC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCc2cc(Br)ccc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0325841
LogD (pH = 7.4)
-0.6512449
Log P
2.2015736
Molar Refractivity
60.5389
Polarizability
23.759245
Polar Surface Area
21.26
Rotatable Bonds
3
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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