Molecule

ID:7604

General Information

Structure

Molecular Formula

C₁₀H₁₂O₄

Molecular Mass

196.19988

Exact Mass

196.07355886

Charge

0

InChI

InChI=1S/C10H12O4/c1-12-7-4-5-9(13-2)8(6-7)10(11)14-3/h4-6H,1-3H3

InChIKey

AKAPOSLZQKGWGT-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)C(=O)OC)OC

Isomeric Smiles

c1(c(cc(cc1)OC)C(=O)OC)OC

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.6613803

LogD (pH = 7.4)

1.6613803

Log P

1.6613803

Molar Refractivity

51.0097

Polarizability

19.815237

Polar Surface Area

44.76

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity