Molecule

ID:43008

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Br₂Cl₃
Molecular Mass
443.38826
Exact Mass
439.81365733
Charge
0
InChI
InChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey
YPWDDFGPYBIPBG-UHFFFAOYSA-N
Canonic Smiles
ClC(C(c1ccc(cc1)Br)c1ccc(cc1)Br)(Cl)Cl
Isomeric Smiles
C(C(c1ccc(cc1)Br)c1ccc(cc1)Br)(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.786918
LogD (pH = 7.4)
6.786918
Log P
6.786918
Molar Refractivity
90.9517
Polarizability
34.84882
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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