Molecule

ID:20955

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO
Molecular Mass
292.5999
Exact Mass
291.00255379
Charge
0
InChI
InChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKey
HYIUFMKPWZFLKE-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cccc(c2)Br)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9793133
LogD (pH = 7.4)
-0.13499475
Log P
2.2280853
Molar Refractivity
60.3004
Polarizability
23.74952
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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