Molecule

ID:65928

General Information

Structure

MolImage

Molecular Formula

C₄H₉NO

Molecular Mass

87.12036

Exact Mass

87.06841391

Charge

0

InChI

InChI=1S/C4H9NO/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2

InChIKey

JLUZCHOYSPEHES-UHFFFAOYSA-N

Canonic Smiles

NC1CC(C1)O

Isomeric Smiles

NC1CC(C1)O

Calculated Properties

JChem

Acid pKa

15.442173

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-4.257658

LogD (pH = 7.4)

-3.554791

Log P

-1.2476321

Molar Refractivity

23.3133

Polarizability

9.517664

Polar Surface Area

46.25

Rotatable Bonds

0

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