Molecule

ID:100744

General Information

Structure

Molecular Formula

C₇H₄FNO

Molecular Mass

137.1111632

Exact Mass

137.02769197

Charge

0

InChI

InChI=1S/C7H4FNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

InChIKey

ZRMPAEOUOPNNPZ-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)nco2

Isomeric Smiles

o1c2ccc(cc2nc1)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.4625654

LogD (pH = 7.4)

1.4625673

Log P

1.4625673

Molar Refractivity

32.9395

Polarizability

13.487964

Polar Surface Area

26.03

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