Molecule

ID:110450

General Information

Structure

MolImage

Molecular Formula

C₈H₁₉NO

Molecular Mass

145.24256

Exact Mass

145.14666423

Charge

0

InChI

InChI=1S/C8H19NO/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3

InChIKey

QCXNXRUTKSIZND-UHFFFAOYSA-N

Canonic Smiles

OCCCCCCN(C)C

Isomeric Smiles

CN(C)CCCCCCO

Calculated Properties

JChem

Acid pKa

16.843943

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.4694622

LogD (pH = 7.4)

-1.3931501

Log P

0.96652716

Molar Refractivity

44.9924

Polarizability

17.615318

Polar Surface Area

23.47

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity