Molecule

ID:74950

General Information

Structure

MolImage

Molecular Formula

C₇H₁₇O₃P

Molecular Mass

180.181841

Exact Mass

180.09153103

Charge

0

InChI

InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

InChIKey

RUIKOPXSCCGLOM-UHFFFAOYSA-N

Canonic Smiles

CCCP(=O)(OCC)OCC

Isomeric Smiles

P(=O)(OCC)(OCC)CCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.4568449

LogD (pH = 7.4)

1.4568449

Log P

1.4568449

Molar Refractivity

45.0362

Polarizability

18.330648

Polar Surface Area

35.53

Rotatable Bonds

6

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