Molecule

ID:85232

General Information
Structure
Molecular Formula
C₁₀H₅Cl₅O
Molecular Mass
318.4111
Exact Mass
315.87830318
Charge
0
InChI
InChI=1S/C10H5Cl5O/c11-8-9(12,13)6-4-2-1-3-5(6)7(16)10(8,14)15/h1-4,8H
InChIKey
AVRLSFVAMORTAF-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(C(C1(Cl)Cl)Cl)(Cl)Cl
Isomeric Smiles
O=C1C(C(C(c2ccccc12)(Cl)Cl)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.318604
LogD (pH = 7.4)
5.318604
Log P
5.318604
Molar Refractivity
68.599
Polarizability
26.448137
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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