Molecule

ID:70345

General Information

Structure

MolImage

Molecular Formula

C₈H₆FN

Molecular Mass

135.1383432

Exact Mass

135.04842742

Charge

0

InChI

InChI=1S/C8H6FN/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5H,10H2

InChIKey

HWMVCSBQJWRQNF-UHFFFAOYSA-N

Canonic Smiles

C#Cc1cc(N)ccc1F

Isomeric Smiles

Nc1cc(c(cc1)F)C#C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.4331217

LogD (pH = 7.4)

1.4377972

Log P

1.437857

Molar Refractivity

36.1471

Polarizability

13.703302

Polar Surface Area

26.02

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity