Molecule

ID:41002

General Information

Structure

MolImage

Molecular Formula

C₅H₇NO₅

Molecular Mass

161.11278

Exact Mass

161.03242233

Charge

0

InChI

InChI=1S/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h9H,1-2H3

InChIKey

GLFGXQYUPFIXJV-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C(=NO)C(=O)OC

Isomeric Smiles

C(=NO)(C(=O)OC)C(=O)OC

Calculated Properties

JChem

Acid pKa

0.41729078

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-1.582149

LogD (pH = 7.4)

-1.5829854

Log P

0.7934027

Molar Refractivity

33.1445

Polarizability

13.175713

Polar Surface Area

85.19

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity