Molecule

ID:24606

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₅N

Molecular Mass

161.2435

Exact Mass

161.12044949

Charge

0

InChI

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

InChIKey

WGIAUTGOUJDVEI-UHFFFAOYSA-N

Canonic Smiles

C1CCC(NC1)c1ccccc1

Isomeric Smiles

N1C(c2ccccc2)CCCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.7595009

LogD (pH = 7.4)

0.14360544

Log P

2.4417279

Molar Refractivity

51.1182

Polarizability

20.390646

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