Molecule

ID:27144

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₂N₂O

Molecular Mass

198.30518

Exact Mass

198.17321333

Charge

0

InChI

InChI=1S/C11H22N2O/c1-2-3-4-5-6-7-8-9-10-11(14)13-12/h2H,1,3-10,12H2,(H,13,14)

InChIKey

QGWQHDWECZBDTR-UHFFFAOYSA-N

Canonic Smiles

C=CCCCCCCCCC(=O)NN

Isomeric Smiles

C(=O)(NN)CCCCCCCCC=C

Calculated Properties

JChem

Acid pKa

13.421603

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

2.6237798

LogD (pH = 7.4)

2.6263006

Log P

2.6263332

Molar Refractivity

60.429

Polarizability

23.386532

Polar Surface Area

55.12

Rotatable Bonds

9

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