Molecule

ID:111396

General Information

Structure

MolImage

Molecular Formula

C₉H₁₅O₄P

Molecular Mass

218.186761

Exact Mass

218.07079559

Charge

0

InChI

InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2

InChIKey

XHGIFBQQEGRTPB-UHFFFAOYSA-N

Canonic Smiles

C=CCOP(=O)(OCC=C)OCC=C

Isomeric Smiles

C=CCOP(=O)(OCC=C)OCC=C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.3075278

LogD (pH = 7.4)

2.3075278

Log P

2.3075278

Molar Refractivity

55.5869

Polarizability

21.97795

Polar Surface Area

44.76

Rotatable Bonds

9

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