Molecule

ID:24630

General Information

Structure

MolImage

Molecular Formula

C₉H₁₉NO

Molecular Mass

157.25326

Exact Mass

157.14666423

Charge

0

InChI

InChI=1S/C9H19NO/c1-5-10(6-2)7-9(3,4)8-11/h8H,5-7H2,1-4H3

InChIKey

AAHIYAKUVPMLMX-UHFFFAOYSA-N

Canonic Smiles

CCN(CC(C=O)(C)C)CC

Isomeric Smiles

C(C=O)(CN(CC)CC)(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-1.8456459

LogD (pH = 7.4)

-0.62705356

Log P

1.5591657

Molar Refractivity

48.4194

Polarizability

18.9108

Polar Surface Area

20.31

Rotatable Bonds

5

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