Molecule

ID:110352

General Information

Structure

Molecular Formula

C₁₇H₁₇N

Molecular Mass

235.32358

Exact Mass

235.13609955

Charge

0

InChI

InChI=1S/C17H17N/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13H2,1H3

InChIKey

TTZNNJWAZPMWGF-UHFFFAOYSA-N

Canonic Smiles

CCCC(c1ccccc1)(c1ccccc1)C#N

Isomeric Smiles

CCCC(C#N)(c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.790885

LogD (pH = 7.4)

4.790885

Log P

4.790885

Molar Refractivity

85.2118

Polarizability

29.043621

Polar Surface Area

23.79

Rotatable Bonds

4

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

References

Bioactivity