Molecule

ID:83635

General Information

Structure

MolImage

Molecular Formula

C₅H₁₃O₄P

Molecular Mass

168.128081

Exact Mass

168.05514553

Charge

0

InChI

InChI=1S/C5H13O4P/c1-5(2,6)10(7,8-3)9-4/h6H,1-4H3

InChIKey

XKBAMTNWFFDMLF-UHFFFAOYSA-N

Canonic Smiles

COP(=O)(C(O)(C)C)OC

Isomeric Smiles

P(=O)(C(O)(C)C)(OC)OC

Calculated Properties

JChem

Acid pKa

12.529342

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.13106838

LogD (pH = 7.4)

0.13106519

Log P

0.13106842

Molar Refractivity

37.4799

Polarizability

15.372693

Polar Surface Area

55.76

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity