Molecule

ID:46930

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO
Molecular Mass
292.5999
Exact Mass
291.00255379
Charge
0
InChI
InChI=1S/C11H14BrNO.ClH/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H
InChIKey
IVQVOLMBWIPDDS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1C)OC1CNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OC1CCNC1)Br)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.54890335
LogD (pH = 7.4)
-0.06323747
Log P
2.681547
Molar Refractivity
60.4762
Polarizability
23.678055
Polar Surface Area
21.26
Rotatable Bonds
2
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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