Molecule

ID:110802

General Information

Structure

Molecular Formula

C₅H₁₃NO

Molecular Mass

103.16282

Exact Mass

103.09971404

Charge

0

InChI

InChI=1S/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3

InChIKey

QAFODUGVXFNLBE-UHFFFAOYSA-N

Canonic Smiles

COCC(CC)N

Isomeric Smiles

CCC(N)COC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.7399354

LogD (pH = 7.4)

-1.9898504

Log P

0.26666304

Molar Refractivity

29.9051

Polarizability

12.157154

Polar Surface Area

35.25

Rotatable Bonds

3

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