Molecule

ID:11557

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₅N

Molecular Mass

161.2435

Exact Mass

161.12044949

Charge

0

InChI

InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2

InChIKey

NZYBILDYPCVNMU-UHFFFAOYSA-N

Canonic Smiles

C1CCC(CN1)c1ccccc1

Isomeric Smiles

N1CC(c2ccccc2)CCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.0659345

LogD (pH = 7.4)

-0.41349286

Log P

2.1562645

Molar Refractivity

51.402

Polarizability

20.311394

Polar Surface Area

12.03

Rotatable Bonds

1

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