Molecule

ID:135379

General Information
Structure
MolImage
Molecular Formula
C₆HCl₅O
Molecular Mass
272.29246903
Exact Mass
269.86713208
Charge
0
InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
IZUPBVBPLAPZRR-IDEBNGHGSA-N
Canonic Smiles
Cl[13c]1[13c](O)[13c](Cl)[13c]([13c]([13c]1Cl)Cl)Cl
Isomeric Smiles
[13c]1([13c]([13c]([13c]([13c]([13c]1Cl)Cl)Cl)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
4.982652
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.069792
LogD (pH = 7.4)
2.7910223
Log P
4.6899037
Molar Refractivity
52.0629
Polarizability
20.81
Polar Surface Area
20.23
Rotatable Bonds
0
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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