Molecule

ID:85290

General Information

Structure

MolImage

Molecular Formula

C₃H₅Cl₃O

Molecular Mass

163.4302

Exact Mass

161.94059782

Charge

0

InChI

InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3

InChIKey

HCMBPASAOZIEDZ-UHFFFAOYSA-N

Canonic Smiles

CC(C(Cl)(Cl)Cl)O

Isomeric Smiles

ClC(C(O)C)(Cl)Cl

Calculated Properties

JChem

Acid pKa

12.588698

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.473154

LogD (pH = 7.4)

1.4731512

Log P

1.473154

Molar Refractivity

32.6346

Polarizability

12.668402

Polar Surface Area

20.23

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity