Molecule

ID:51461

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrCl₃O
Molecular Mass
304.39564
Exact Mass
301.86675985
Charge
0
InChI
InChI=1S/C8H6BrCl3O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
InChIKey
GFLHGSIWKATBCA-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(cc1Cl)Cl)Cl)OCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4776936
LogD (pH = 7.4)
4.4776936
Log P
4.4776936
Molar Refractivity
59.2624
Polarizability
23.355503
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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