Molecule

ID:90367

General Information
Structure
Molecular Formula
C₇H₄BrClO
Molecular Mass
219.46306
Exact Mass
217.91340443
Charge
0
InChI
InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey
PBOOZQFGWNZNQE-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)Cl
Isomeric Smiles
O=C(c1cc(ccc1)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.932911
LogD (pH = 7.4)
2.932911
Log P
2.932911
Molar Refractivity
44.7955
Polarizability
17.019573
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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