Molecule

ID:46865

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉BrClNO
Molecular Mass
368.69586
Exact Mass
367.03385391
Charge
0
InChI
InChI=1S/C17H18BrNO.ClH/c18-16-11-14(10-13-4-2-1-3-5-13)6-7-17(16)20-15-8-9-19-12-15;/h1-7,11,15,19H,8-10,12H2;1H
InChIKey
ARHZAEIFXOAKQA-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(ccc1OC1CNCC1)Cc1ccccc1.Cl
Isomeric Smiles
c1(c(cc(Cc2ccccc2)cc1)Br)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0303282
LogD (pH = 7.4)
1.5368462
Log P
4.2599196
Molar Refractivity
85.1722
Polarizability
33.20379
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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