Molecule

ID:68943

General Information

Structure

MolImage

Molecular Formula

C₇H₈FNO

Molecular Mass

141.1429232

Exact Mass

141.0589921

Charge

0

InChI

InChI=1S/C7H8FNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3

InChIKey

KOSZHDVTNURERE-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1F)N

Isomeric Smiles

Nc1c(c(ccc1)OC)F

Calculated Properties

JChem

Acid pKa

18.501709

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.1291529

LogD (pH = 7.4)

1.129348

Log P

1.1293505

Molar Refractivity

37.438

Polarizability

13.680024

Polar Surface Area

35.25

Rotatable Bonds

1

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