Molecule

ID:53084

General Information

Structure

MolImage

Molecular Formula

C₈H₇FN₂

Molecular Mass

150.1529832

Exact Mass

150.05932645

Charge

0

InChI

InChI=1S/C8H7FN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)

InChIKey

LIYPWDQJKOCVNN-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)c(C)n[nH]2

Isomeric Smiles

[nH]1nc(c2cc(ccc12)F)C

Calculated Properties

JChem

Acid pKa

14.349551

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.5701433

LogD (pH = 7.4)

1.5703768

Log P

1.5703799

Molar Refractivity

40.881

Polarizability

16.045685

Polar Surface Area

28.68

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