Molecule

ID:68985

General Information

Structure

Molecular Formula

C₅H₂ClFIN

Molecular Mass

257.4319532

Exact Mass

256.89045297

Charge

0

InChI

InChI=1S/C5H2ClFIN/c6-5-1-4(8)3(7)2-9-5/h1-2H

InChIKey

CRLPRXQOSARJCF-UHFFFAOYSA-N

Canonic Smiles

Clc1ncc(c(c1)I)F

Isomeric Smiles

c1(cc(c(cn1)F)I)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.6514416

LogD (pH = 7.4)

2.6514416

Log P

2.6514416

Molar Refractivity

43.3461

Polarizability

16.644075

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