Molecule

ID:46186

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉BrClNO
Molecular Mass
368.69586
Exact Mass
367.03385391
Charge
0
InChI
InChI=1S/C17H18BrNO.ClH/c18-15-6-7-17(20-12-13-8-9-19-11-13)16(10-15)14-4-2-1-3-5-14;/h1-7,10,13,19H,8-9,11-12H2;1H
InChIKey
ZGMJSPNSXBOULB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)c1ccccc1)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)Br)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6933264
LogD (pH = 7.4)
0.8519364
Log P
3.9328995
Molar Refractivity
85.5548
Polarizability
34.600616
Polar Surface Area
21.26
Rotatable Bonds
4
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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