Molecule

ID:67357

General Information

Structure

MolImage

Molecular Formula

C₉H₁₀O₂

Molecular Mass

150.1745

Exact Mass

150.06807956

Charge

0

InChI

InChI=1S/C9H10O2/c1-7-3-4-8(6-10)5-9(7)11-2/h3-6H,1-2H3

InChIKey

TVDHPUFLDYYBPO-UHFFFAOYSA-N

Canonic Smiles

COc1cc(C=O)ccc1C

Isomeric Smiles

C(=O)c1cc(c(cc1)C)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.0414982

LogD (pH = 7.4)

2.0414982

Log P

2.0414982

Molar Refractivity

44.1464

Polarizability

16.50193

Polar Surface Area

26.3

Rotatable Bonds

2

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