Molecule

ID:33552

General Information

Structure

Molecular Formula

C₁₁H₂₁NO₂

Molecular Mass

199.28994

Exact Mass

199.15722892

Charge

0

InChI

InChI=1S/C11H21NO2/c1-14-11(13)7-10-12-8-5-3-2-4-6-9-12/h2-10H2,1H3

InChIKey

BYHVQYRYZSMEOM-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CCN1CCCCCCC1

Isomeric Smiles

N1(CCC(=O)OC)CCCCCCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-1.6357754

LogD (pH = 7.4)

-0.5090073

Log P

1.790563

Molar Refractivity

56.8852

Polarizability

22.55125

Polar Surface Area

29.54

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