Molecule

ID:20832

General Information

Structure

MolImage

Molecular Formula

C₆H₁₃NO

Molecular Mass

115.17352

Exact Mass

115.09971404

Charge

0

InChI

InChI=1S/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey

MRWRHHSVHWCISU-UHFFFAOYSA-N

Canonic Smiles

COC1CCCNC1

Isomeric Smiles

N1CC(OC)CCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.9648023

LogD (pH = 7.4)

-1.9770514

Log P

0.22571056

Molar Refractivity

32.9481

Polarizability

13.269628

Polar Surface Area

21.26

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