Molecule

ID:78564

General Information
Structure
MolImage
Molecular Formula
C₆HCl₄NO₂
Molecular Mass
260.88964
Exact Mass
258.876139
Charge
0
InChI
InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)
InChIKey
GXFRQLQUKBSYQL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1860023
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1449299
LogD (pH = 7.4)
-0.012510482
Log P
3.4353626
Molar Refractivity
51.0658
Polarizability
19.906336
Polar Surface Area
50.19
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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