Molecule

ID:19964

General Information

Structure

Molecular Formula

C₁₃H₁₂FNO

Molecular Mass

217.2388832

Exact Mass

217.09029223

Charge

0

InChI

InChI=1S/C13H12FNO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2

InChIKey

NMRHRZIRARORAE-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)N)OCc1ccccc1

Isomeric Smiles

c1(cc(ccc1OCc1ccccc1)F)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.8514583

LogD (pH = 7.4)

2.8537939

Log P

2.8538237

Molar Refractivity

62.0506

Polarizability

23.225908

Polar Surface Area

35.25

Rotatable Bonds

3

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