Molecule

ID:70348

General Information

Structure

Molecular Formula

C₈H₃FN₂

Molecular Mass

146.1212232

Exact Mass

146.02802633

Charge

0

InChI

InChI=1S/C8H3FN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H

InChIKey

SAPTYURANIHAPE-UHFFFAOYSA-N

Canonic Smiles

N#Cc1c(C#N)cccc1F

Isomeric Smiles

C(#N)c1c(C#N)c(ccc1)F

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.8281401

LogD (pH = 7.4)

1.8281401

Log P

1.8281401

Molar Refractivity

37.7176

Polarizability

13.68404

Polar Surface Area

47.58

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity