Molecule

ID:20715

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉BrClNO
Molecular Mass
356.68516
Exact Mass
355.03385391
Charge
0
InChI
InChI=1S/C16H18BrNO.ClH/c17-15-5-3-14-9-16(6-4-13(14)8-15)19-11-12-2-1-7-18-10-12;/h3-6,8-9,12,18H,1-2,7,10-11H2;1H
InChIKey
IZZOZRDPLWNHOT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc(c2)OCC1CCCNC1.Cl
Isomeric Smiles
c12c(cc(cc2)Br)ccc(c1)OCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4978324
LogD (pH = 7.4)
1.1554196
Log P
3.7197196
Molar Refractivity
81.4698
Polarizability
33.0002
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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