Molecule

ID:46142

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BrClNO
Molecular Mass
348.70622
Exact Mass
347.06515404
Charge
0
InChI
InChI=1S/C15H22BrNO.ClH/c1-3-11(2)13-4-5-15(14(16)8-13)18-10-12-6-7-17-9-12;/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3;1H
InChIKey
SKSGGHWJJCBYHE-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)Br)OCC1CNCC1)C.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CNCC1)C(CC)C)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7356789
LogD (pH = 7.4)
0.8942889
Log P
3.975252
Molar Refractivity
79.2104
Polarizability
30.996208
Polar Surface Area
21.26
Rotatable Bonds
5
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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