Molecule

ID:93091

General Information

Structure

Molecular Formula

C₅H₂BrFIN

Molecular Mass

301.8829532

Exact Mass

300.83993729

Charge

0

InChI

InChI=1S/C5H2BrFIN/c6-4-1-3(8)2-9-5(4)7/h1-2H

InChIKey

MLOIGFZNGAEEDT-UHFFFAOYSA-N

Canonic Smiles

Ic1cnc(c(c1)Br)F

Isomeric Smiles

n1cc(cc(c1F)Br)I

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.9899032

LogD (pH = 7.4)

2.9899032

Log P

2.9899032

Molar Refractivity

46.1175

Polarizability

17.803978

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