Molecule

ID:34571

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₄N₂

Molecular Mass

162.23156

Exact Mass

162.11569846

Charge

0

InChI

InChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2

InChIKey

AAFUQJGCJNFFRT-UHFFFAOYSA-N

Canonic Smiles

C1NCC(C1)Nc1ccccc1

Isomeric Smiles

N1CC(CC1)Nc1ccccc1

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-2.2044306

LogD (pH = 7.4)

-1.8202506

Log P

1.0298223

Molar Refractivity

51.5428

Polarizability

19.659422

Polar Surface Area

24.06

Rotatable Bonds

2

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