Molecule

ID:56868

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉BrCl₂O₂
Molecular Mass
360.03006
Exact Mass
357.91629689
Charge
0
InChI
InChI=1S/C14H9BrCl2O2/c15-10-4-5-13(12(7-10)14(17)18)19-8-9-2-1-3-11(16)6-9/h1-7H,8H2
InChIKey
ICLHLKHWINDSGR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)Cl)OCc1cccc(c1)Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1cc(ccc1)Cl)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1037574
LogD (pH = 7.4)
5.1037574
Log P
5.1037574
Molar Refractivity
80.6761
Polarizability
30.936829
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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