Molecule

ID:66092

General Information

Structure

Molecular Formula

C₁₁H₈F₂N₂

Molecular Mass

206.1914264

Exact Mass

206.06555471

Charge

0

InChI

InChI=1S/C11H8F2N2/c12-11(13,9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8H

InChIKey

XPAVCQLTPWEBHR-UHFFFAOYSA-N

Canonic Smiles

FC(c1ccccn1)(c1ccccn1)F

Isomeric Smiles

c1ccc(nc1)C(c1ccccn1)(F)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.6571622

LogD (pH = 7.4)

2.657466

Log P

2.6574697

Molar Refractivity

50.8044

Polarizability

19.38816

Polar Surface Area

25.78

Rotatable Bonds

2

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