Molecule

ID:18849

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrClO
Molecular Mass
235.50552
Exact Mass
233.94470456
Charge
0
InChI
InChI=1S/C8H8BrClO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChIKey
UIOYCWAQKOLSMA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)CBr
Isomeric Smiles
c1(c(cc(cc1)OC)Cl)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1923566
LogD (pH = 7.4)
3.1923566
Log P
3.1923566
Molar Refractivity
50.1764
Polarizability
19.34547
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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