Molecule

ID:2801

General Information

Structure

MolImage

Molecular Formula

C₃H₅O₂Se-

Molecular Mass

152.0306

Exact Mass

152.9454754

Charge

-1

InChI

InChI=1S/C3H6O2Se/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

InChIKey

UOULLTHLSZQUIN-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)C[Se]C

Isomeric Smiles

C[Se]CC(=O)[O-]

Calculated Properties

JChem

Acid pKa

3.1073232

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.5200288

LogD (pH = 7.4)

-3.7334201

Log P

-0.1474

Molar Refractivity

41.2824

Polarizability

7.364668

Polar Surface Area

40.13

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-0.19

LOG S

-0.2

Solubility (Water)

1.07e+02 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