Molecule

ID:82899

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃Br₄NO₂
Molecular Mass
570.89592
Exact Mass
566.76797666
Charge
0
InChI
InChI=1S/C16H13Br4NO2/c1-2-23-14(22)11-8-13(10-21-9-11)16(19,20)15(17,18)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKey
FNXJVDKCOHKOAF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cncc(c1)C(C(c1ccccc1)(Br)Br)(Br)Br
Isomeric Smiles
n1cc(cc(c1)C(C(c1ccccc1)(Br)Br)(Br)Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.541977
LogD (pH = 7.4)
5.5428295
Log P
5.5428405
Molar Refractivity
106.0876
Polarizability
40.484104
Polar Surface Area
39.19
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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