Molecule

ID:58985

General Information

Structure

Molecular Formula

C₆H₇FN₂O₂

Molecular Mass

158.1303832

Exact Mass

158.04915569

Charge

0

InChI

InChI=1S/C6H7FN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3

InChIKey

UVMHPMWNQRWMCB-UHFFFAOYSA-N

Canonic Smiles

COc1ncc(c(n1)OC)F

Isomeric Smiles

c1nc(nc(c1F)OC)OC

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

1.1503323

LogD (pH = 7.4)

1.1503383

Log P

1.1503384

Molar Refractivity

36.1246

Polarizability

13.437912

Polar Surface Area

44.24

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