Molecule

ID:5282

General Information

Structure

Molecular Formula

C₁₂H₂₇OP

Molecular Mass

218.315941

Exact Mass

218.17995211

Charge

0

InChI

InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3

InChIKey

GSVLCKASFMVUSW-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCP(=O)(C)C

Isomeric Smiles

CP(=O)(CCCCCCCCCC)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.3243055

LogD (pH = 7.4)

2.3243055

Log P

2.3243055

Molar Refractivity

65.7656

Polarizability

26.11414

Polar Surface Area

17.07

Rotatable Bonds

9

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

4.82

LOG S

-5.1

Solubility (Water)

1.74e-03 g/l

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

References

Bioactivity