Molecule

ID:56874

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Br₂ClO₂
Molecular Mass
404.48106
Exact Mass
401.86578121
Charge
0
InChI
InChI=1S/C14H9Br2ClO2/c15-10-3-1-9(2-4-10)8-19-13-6-5-11(16)7-12(13)14(17)18/h1-7H,8H2
InChIKey
FQDFZGGDSIQXCN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)COc1ccc(cc1C(=O)Cl)Br
Isomeric Smiles
c1(cc(c(cc1)OCc1ccc(cc1)Br)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2684655
LogD (pH = 7.4)
5.2684655
Log P
5.2684655
Molar Refractivity
83.4941
Polarizability
31.97173
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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