Molecule

ID:19372

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₅N

Molecular Mass

161.2435

Exact Mass

161.12044949

Charge

0

InChI

InChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3

InChIKey

TXFISDWSKUHPET-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)C1CCCN1

Isomeric Smiles

N1C(c2ccc(cc2)C)CCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.7269862

LogD (pH = 7.4)

-0.47170845

Log P

2.5105805

Molar Refractivity

51.5584

Polarizability

20.308739

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