Molecule

ID:68258

General Information

Structure

Molecular Formula

C₅H₂Br₂FN

Molecular Mass

254.8824832

Exact Mass

252.85380129

Charge

0

InChI

InChI=1S/C5H2Br2FN/c6-3-1-9-2-4(8)5(3)7/h1-2H

InChIKey

KJVNORXSGJINCX-UHFFFAOYSA-N

Canonic Smiles

Brc1c(F)cncc1Br

Isomeric Smiles

c1c(c(c(cn1)F)Br)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.4357796

LogD (pH = 7.4)

2.4357805

Log P

2.4357805

Molar Refractivity

39.3631

Polarizability

15.411749

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