Molecule

ID:3171

General Information

Structure

MolImage

Molecular Formula

CH₃O₃PS--

Molecular Mass

126.071481

Exact Mass

125.95405159

Charge

-2

InChI

InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2

InChIKey

MJZCELCYTRONIX-UHFFFAOYSA-L

Canonic Smiles

SCP(=O)([O-])[O-]

Isomeric Smiles

[O-]P(=O)([O-])CS

Calculated Properties

JChem

Acid pKa

1.6391736

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.039368

LogD (pH = 7.4)

-3.1234558

Log P

-0.74441767

Molar Refractivity

22.474

Polarizability

9.813712

Polar Surface Area

63.19

Rotatable Bonds

1

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.25

LOG S

-1.09

Solubility (Water)

1.32e+01 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