Molecule
ID:120411
General Information
Molecular Formula
C₅HCl₅O₂
Molecular Mass
270.32524
Exact Mass
267.84191767
Charge
0
InChI
InChI=1S/C5HCl5O2/c6-1(2(7)4(9)10)3(8)5(11)12/h(H,11,12)/b3-1-
InChIKey
RQMWDQMALYNILJ-IWQZZHSRSA-N
Canonic Smiles
ClC(=C(/C(=C(\C(=O)O)/Cl)/Cl)Cl)Cl
Isomeric Smiles
C(=C(\C(=O)O)/Cl)(\C(=C(Cl)Cl)Cl)/Cl
Calculated Properties
JChem
Acid pKa
2.2648883
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38006714
LogD (pH = 7.4)
-0.8418641
Log P
2.6769698
Molar Refractivity
62.2333
Polarizability
19.75992
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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