Molecule

ID:82597

General Information

Structure

MolImage

Molecular Formula

C₉H₁₂N₂

Molecular Mass

148.20498

Exact Mass

148.10004839

Charge

0

InChI

InChI=1S/C9H12N2/c1-7(9(2,3)4)8(5-10)6-11/h1-4H3

InChIKey

VFZNJHFLKDAKQD-UHFFFAOYSA-N

Canonic Smiles

N#CC(=C(C(C)(C)C)C)C#N

Isomeric Smiles

N#CC(=C(C(C)(C)C)C)C#N

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.2310526

LogD (pH = 7.4)

2.2310526

Log P

2.2310526

Molar Refractivity

44.9045

Polarizability

16.74816

Polar Surface Area

47.58

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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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