Molecule

ID:45017

General Information

Structure

Molecular Formula

C₆H₂F₂N₂

Molecular Mass

140.0902864

Exact Mass

140.01860451

Charge

0

InChI

InChI=1S/C6H2F2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H

InChIKey

QZUIHNOMVCGTEY-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(F)cncc1F

Isomeric Smiles

c1c(c(c(cn1)F)C#N)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.89707345

LogD (pH = 7.4)

0.89707345

Log P

0.89707345

Molar Refractivity

30.0555

Polarizability

10.823921

Polar Surface Area

36.68

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

No Data Available

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Molecule Details

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References

Bioactivity