Molecule

ID:67314

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrClO
Molecular Mass
219.46306
Exact Mass
217.91340443
Charge
0
InChI
InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKey
DHGPLNJITGVCSG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Cl)Br
Isomeric Smiles
C(=O)c1c(cc(cc1)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0585454
LogD (pH = 7.4)
3.0585454
Log P
3.0585454
Molar Refractivity
45.0696
Polarizability
17.04792
Polar Surface Area
17.07
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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