Molecule

ID:21030

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO
Molecular Mass
292.5999
Exact Mass
291.00255379
Charge
0
InChI
InChI=1S/C11H14BrNO.ClH/c1-8-2-3-11(10(12)6-8)14-9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H
InChIKey
UHQMLBCZBGKJQF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Br)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)C)Br)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5482576
LogD (pH = 7.4)
-0.046817124
Log P
2.681547
Molar Refractivity
60.4762
Polarizability
23.683552
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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