Molecule

ID:11786

General Information

Structure

MolImage

Molecular Formula

C₇H₄ClF₃O

Molecular Mass

196.5542696

Exact Mass

195.99027709

Charge

0

InChI

InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

InChIKey

NZRLCYJRHKUVCV-UHFFFAOYSA-N

Canonic Smiles

Clc1ccccc1OC(F)(F)F

Isomeric Smiles

c1ccc(c(c1)Cl)OC(F)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.008402

LogD (pH = 7.4)

4.008402

Log P

4.008402

Molar Refractivity

33.9331

Polarizability

14.3042755

Polar Surface Area

9.23

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity