Molecule

ID:97455

General Information

Structure

Molecular Formula

C₈H₅FN₂

Molecular Mass

148.1371032

Exact Mass

148.04367639

Charge

0

InChI

InChI=1S/C8H5FN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H

InChIKey

JIXCXZJOGOGGIU-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)nccn2

Isomeric Smiles

n1ccnc2c1cc(cc2)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.4417603

LogD (pH = 7.4)

1.4417801

Log P

1.4417803

Molar Refractivity

37.6668

Polarizability

15.700266

Polar Surface Area

25.78

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