Molecule

ID:83030

General Information

Structure

Molecular Formula

C₁₃H₁₃O₂P

Molecular Mass

232.214881

Exact Mass

232.06531629

Charge

0

InChI

InChI=1S/C13H13O2P/c14-11-16(15,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2

InChIKey

NSLPWSVZTYOGDO-UHFFFAOYSA-N

Canonic Smiles

OCP(=O)(c1ccccc1)c1ccccc1

Isomeric Smiles

P(=O)(c1ccccc1)(c1ccccc1)CO

Calculated Properties

JChem

Acid pKa

13.862699

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.7343

LogD (pH = 7.4)

2.7343

Log P

2.7343

Molar Refractivity

64.5768

Polarizability

25.796377

Polar Surface Area

37.3

Rotatable Bonds

3

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