Molecule

ID:65047

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀O

Molecular Mass

86.1323

Exact Mass

86.07316494

Charge

0

InChI

InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3

InChIKey

FSGHEPDRMHVUCQ-UHFFFAOYSA-N

Canonic Smiles

CCOC(=C)C

Isomeric Smiles

C(=C)(OCC)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.0583712

LogD (pH = 7.4)

1.0583712

Log P

1.0583712

Molar Refractivity

27.2724

Polarizability

10.393685

Polar Surface Area

9.23

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