Molecule

ID:108708

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀O₂

Molecular Mass

162.1852

Exact Mass

162.06807956

Charge

0

InChI

InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

LYJHVEDILOKZCG-UHFFFAOYSA-N

Canonic Smiles

C=CCOC(=O)c1ccccc1

Isomeric Smiles

C=CCOC(=O)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.7079725

LogD (pH = 7.4)

2.7079725

Log P

2.7079725

Molar Refractivity

47.246

Polarizability

18.18856

Polar Surface Area

26.3

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

References

Bioactivity