Molecule

ID:65353

General Information

Structure

MolImage

Molecular Formula

C₄H₉NO

Molecular Mass

87.12036

Exact Mass

87.06841391

Charge

0

InChI

InChI=1S/C4H9NO/c5-3-4-1-2-6-4/h4H,1-3,5H2

InChIKey

QDEFNAHLCTUWAH-UHFFFAOYSA-N

Canonic Smiles

NCC1CCO1

Isomeric Smiles

C1COC1CN

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.7109127

LogD (pH = 7.4)

-2.7621055

Log P

-0.7242325

Molar Refractivity

23.5289

Polarizability

9.589044

Polar Surface Area

35.25

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