Molecule

ID:71207

General Information

Structure

Molecular Formula

C₄H₉NO

Molecular Mass

87.12036

Exact Mass

87.06841391

Charge

0

InChI

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

InChIKey

YHNRUSMOYCDMJS-UHFFFAOYSA-N

Canonic Smiles

NOCC1CC1

Isomeric Smiles

NOCC1CC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.38498294

LogD (pH = 7.4)

0.41760936

Log P

0.41804162

Molar Refractivity

24.273

Polarizability

9.589044

Polar Surface Area

35.25

Rotatable Bonds

2

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