Molecule

ID:69331

General Information

Structure

Molecular Formula

C₁₁H₇N

Molecular Mass

153.17998

Exact Mass

153.05784923

Charge

0

InChI

InChI=1S/C11H7N/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h1,3-8H

InChIKey

WRBICKOJBASGMC-UHFFFAOYSA-N

Canonic Smiles

C#Cc1ccnc2c1cccc2

Isomeric Smiles

n1ccc(c2ccccc12)C#C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.263983

LogD (pH = 7.4)

2.2815073

Log P

2.2817357

Molar Refractivity

45.1516

Polarizability

19.647356

Polar Surface Area

12.89

Rotatable Bonds

0

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