Molecule

ID:95037

General Information

Structure

Molecular Formula

C₁₂H₁₀FN

Molecular Mass

187.2129032

Exact Mass

187.07972755

Charge

0

InChI

InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

InChIKey

RBWCFTJQRDTIBX-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)Nc1ccccc1

Isomeric Smiles

N(c1ccc(cc1)F)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.5558634

LogD (pH = 7.4)

3.5558734

Log P

3.5558736

Molar Refractivity

54.7606

Polarizability

20.710146

Polar Surface Area

12.03

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