Molecule

ID:83458

General Information

Structure

Molecular Formula

C₈H₁₇NO

Molecular Mass

143.22668

Exact Mass

143.13101417

Charge

0

InChI

InChI=1S/C8H17NO/c1-7(10)8(2,3)6-9(4)5/h6H2,1-5H3

InChIKey

LXYPWJFDIBGUID-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

18.729757

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-1.8946725

LogD (pH = 7.4)

-0.3287031

Log P

1.3337916

Molar Refractivity

43.3987

Polarizability

17.06628

Polar Surface Area

20.31

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity