Molecule

ID:59198

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO

Molecular Mass

143.22668

Exact Mass

143.13101417

Charge

0

InChI

InChI=1S/C8H17NO/c9-8(7-10)5-3-1-2-4-6-8/h10H,1-7,9H2

InChIKey

YCUBUBCODJSBIC-UHFFFAOYSA-N

Canonic Smiles

OCC1(N)CCCCCC1

Isomeric Smiles

C1C(CCCCC1)(N)CO

Calculated Properties

JChem

Acid pKa

14.784953

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-2.1702366

LogD (pH = 7.4)

-1.7035558

Log P

0.852047

Molar Refractivity

41.7159

Polarizability

16.88203

Polar Surface Area

46.25

Rotatable Bonds

1

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