Molecule

ID:46438

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Br₂ClNO
Molecular Mass
371.49596
Exact Mass
368.91306575
Charge
0
InChI
InChI=1S/C11H13Br2NO.ClH/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6-7H2;1H
InChIKey
NPXLGAYZUNWDMJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)OCC1CNCC1.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CNCC1)Br)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1851463
LogD (pH = 7.4)
-0.026536306
Log P
3.054427
Molar Refractivity
68.0414
Polarizability
26.730988
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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