Molecule

ID:24399

General Information

Structure

Molecular Formula

C₆H₁₀N₂

Molecular Mass

110.157

Exact Mass

110.08439833

Charge

0

InChI

InChI=1S/C6H10N2/c1-2-5-8-6-3-4-7/h2,8H,1,3,5-6H2

InChIKey

QACOAACFEMBVFZ-UHFFFAOYSA-N

Canonic Smiles

C=CCNCCC#N

Isomeric Smiles

N#CCCNCC=C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.5335939

LogD (pH = 7.4)

0.03175396

Log P

0.31131625

Molar Refractivity

33.6194

Polarizability

12.912192

Polar Surface Area

35.82

Rotatable Bonds

4

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