Molecule

ID:127345

General Information

Structure

MolImage

Molecular Formula

C₆O₆

Molecular Mass

168.0606

Exact Mass

167.96948772

Charge

0

InChI

InChI=1S/C6O6/c7-3-1-2(5(9)11-3)6(10)12-4(1)8

InChIKey

GBASTSRAHRGUAB-UHFFFAOYSA-N

Canonic Smiles

O=c1oc(=O)c2=c1c(=O)oc2=O

Isomeric Smiles

O=c1c2=c(c(=O)oc2=O)c(=O)o1

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-0.59808415

LogD (pH = 7.4)

-0.59808415

Log P

-0.59808415

Molar Refractivity

30.3448

Polarizability

12.208769

Polar Surface Area

86.74

Rotatable Bonds

0

Lipinski's Rule of Five

true

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