Molecule

ID:4241

General Information

Structure

MolImage

Molecular Formula

C₂H₇O₃PS

Molecular Mass

142.113941

Exact Mass

141.98535171

Charge

0

InChI

InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)

InChIKey

WWJJVKAEQGGYHJ-UHFFFAOYSA-N

Canonic Smiles

COP(=S)(OC)O

Isomeric Smiles

COP(=S)(O)OC

Calculated Properties

JChem

Acid pKa

2.8595943

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.5629182

LogD (pH = 7.4)

-1.7477573

Log P

0.6256872

Molar Refractivity

31.6074

Polarizability

13.0123205

Polar Surface Area

38.69

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.32

LOG S

-1.16

Solubility (Water)

9.93e+00 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity