Molecule

ID:85888

General Information

Structure

MolImage

Molecular Formula

C₅HCl₄NO

Molecular Mass

232.87954

Exact Mass

230.88122438

Charge

0

InChI

InChI=1S/C5HCl4NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

InChIKey

RURNAQBVEXFRFC-UHFFFAOYSA-N

Canonic Smiles

Clc1nc(Cl)c(c(c1Cl)O)Cl

Isomeric Smiles

n1c(c(c(c(c1Cl)Cl)O)Cl)Cl

Calculated Properties

JChem

Acid pKa

6.782932

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

3.287048

LogD (pH = 7.4)

2.6410012

Log P

3.308541

Molar Refractivity

47.2238

Polarizability

18.110876

Polar Surface Area

33.12

Rotatable Bonds

0

Lipinski's Rule of Five

true

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