Molecule

ID:7869

General Information

Structure

Molecular Formula

C₁₁H₂₀N₂

Molecular Mass

180.2899

Exact Mass

180.16264865

Charge

0

InChI

InChI=1S/C11H20N2/c12-9-6-10-13-11-7-4-2-1-3-5-8-11/h11,13H,1-8,10H2

InChIKey

PSEDZQTYVJRVRK-UHFFFAOYSA-N

Canonic Smiles

N#CCCNC1CCCCCCC1

Isomeric Smiles

C1CCCC(CCC1)NCCC#N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.5139395

LogD (pH = 7.4)

1.1688234

Log P

2.2684743

Molar Refractivity

54.6729

Polarizability

21.639244

Polar Surface Area

35.82

Rotatable Bonds

3

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