Molecule

ID:4214

General Information

Structure

MolImage

Molecular Formula

C₉H₁₇NO

Molecular Mass

155.23738

Exact Mass

155.13101417

Charge

0

InChI

InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2

InChIKey

HADYAKDSDIXWOF-UHFFFAOYSA-N

Canonic Smiles

O=CCCCC1CCNCC1

Isomeric Smiles

O=CCCCC1CCNCC1

Calculated Properties

JChem

Acid pKa

15.51599

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.4295728

LogD (pH = 7.4)

-1.9076228

Log P

0.79935473

Molar Refractivity

45.927

Polarizability

18.177366

Polar Surface Area

29.1

Rotatable Bonds

4

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

1.75

LOG S

-1.89

Solubility (Water)

1.98e+00 g/l

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

References

Bioactivity