Molecule

ID:71359

General Information

Structure

MolImage

Molecular Formula

C₆H₂F₅N

Molecular Mass

183.078796

Exact Mass

183.01074017

Charge

0

InChI

InChI=1S/C6H2F5N/c7-3-1-12-2-4(8)5(3)6(9,10)11/h1-2H

InChIKey

IOKAPTOVFHLDBN-UHFFFAOYSA-N

Canonic Smiles

Fc1cncc(c1C(F)(F)F)F

Isomeric Smiles

c1c(c(c(cn1)F)C(F)(F)F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.9188247

LogD (pH = 7.4)

1.9188257

Log P

1.9188257

Molar Refractivity

30.3076

Polarizability

10.694458

Polar Surface Area

12.89

Rotatable Bonds

1

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