Molecule

ID:57417

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO

Molecular Mass

143.22668

Exact Mass

143.13101417

Charge

0

InChI

InChI=1S/C8H17NO/c1-8-4-2-3-5-9(8)6-7-10/h8,10H,2-7H2,1H3

InChIKey

DUAIISPCCJPFDG-UHFFFAOYSA-N

Canonic Smiles

OCCN1CCCCC1C

Isomeric Smiles

N1(C(C)CCCC1)CCO

Calculated Properties

JChem

Acid pKa

15.592734

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.661335

LogD (pH = 7.4)

-1.5444834

Log P

0.7670086

Molar Refractivity

42.8412

Polarizability

16.88203

Polar Surface Area

23.47

Rotatable Bonds

2

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