Molecule

ID:86455

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Br₂ClO₂
Molecular Mass
404.48106
Exact Mass
401.86578121
Charge
0
InChI
InChI=1S/C14H9Br2ClO2/c15-11-5-9(7-18)6-12(16)14(11)19-8-10-3-1-2-4-13(10)17/h1-7H,8H2
InChIKey
OZTZSBCQUZOQFE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)c(c(c1)Br)OCc1ccccc1Cl
Isomeric Smiles
O(c1c(cc(cc1Br)C=O)Br)Cc1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3940997
LogD (pH = 7.4)
5.3940997
Log P
5.3940997
Molar Refractivity
83.7682
Polarizability
32.00025
Polar Surface Area
26.3
Rotatable Bonds
4
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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