Molecule

ID:88896

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrCl
Molecular Mass
219.50612
Exact Mass
217.94978994
Charge
0
InChI
InChI=1S/C8H8BrCl/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKey
ILQNJGBEXZUYOI-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Br)ccc1Cl
Isomeric Smiles
Clc1c(cc(cc1)Br)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3040333
LogD (pH = 7.4)
4.3040333
Log P
4.3040333
Molar Refractivity
48.1278
Polarizability
18.606436
Polar Surface Area
0.0
Rotatable Bonds
1
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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