Molecule

ID:10681

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆N₂

Molecular Mass

140.22604

Exact Mass

140.13134852

Charge

0

InChI

InChI=1S/C8H16N2/c1-3-6-10(7-4-2)8-5-9/h3-4H,1-2,5-9H2

InChIKey

CHWMPPNDIBLYMB-UHFFFAOYSA-N

Canonic Smiles

NCCN(CC=C)CC=C

Isomeric Smiles

C(=C)CN(CC=C)CCN

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.0293584

LogD (pH = 7.4)

-1.1643634

Log P

0.8556853

Molar Refractivity

46.2633

Polarizability

18.090437

Polar Surface Area

29.26

Rotatable Bonds

6

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