Molecule

ID:68435

General Information

Structure

Molecular Formula

C₅H₂Cl₂FN

Molecular Mass

165.9804832

Exact Mass

164.95483265

Charge

0

InChI

InChI=1S/C5H2Cl2FN/c6-4-2-1-3(8)5(7)9-4/h1-2H

InChIKey

YAXSIJLRAOURJK-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(n1)Cl)F

Isomeric Smiles

c1(c(ccc(n1)Cl)F)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.546719

LogD (pH = 7.4)

2.546719

Log P

2.546719

Molar Refractivity

35.8497

Polarizability

13.195016

Polar Surface Area

12.89

Rotatable Bonds

0

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