Molecule

ID:24402

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₃

Molecular Mass

161.1989

Exact Mass

161.10519335

Charge

0

InChI

InChI=1S/C7H15NO3/c1-10-6-5-8-4-3-7(9)11-2/h8H,3-6H2,1-2H3

InChIKey

GTRHZOVTLYYYJH-UHFFFAOYSA-N

Canonic Smiles

COCCNCCC(=O)OC

Isomeric Smiles

C(=O)(CCNCCOC)OC

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.4366152

LogD (pH = 7.4)

-1.9973843

Log P

-0.3789639

Molar Refractivity

41.29

Polarizability

16.639622

Polar Surface Area

47.56

Rotatable Bonds

7

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