Molecule

ID:112616

General Information

Structure

MolImage

Molecular Formula

C₆H₁₇NO₃Si

Molecular Mass

179.28958

Exact Mass

179.09776994

Charge

0

InChI

InChI=1S/C6H17NO3Si/c1-9-11(6-8,10-2)5-3-4-7/h8H,3-7H2,1-2H3

InChIKey

CSVUZYPSSGFRBW-UHFFFAOYSA-N

Canonic Smiles

NCCC[Si](OC)(OC)CO

Isomeric Smiles

CO[Si](CO)(CCCN)OC

Calculated Properties

JChem

Acid pKa

13.8174515

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

-3.9377997

LogD (pH = 7.4)

-3.235796

Log P

-0.5155

Molar Refractivity

39.757

Polarizability

18.292953

Polar Surface Area

64.71

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity