Molecule

ID:7789

General Information

Structure

Molecular Formula

C₁₃H₁₂O₂

Molecular Mass

200.23318

Exact Mass

200.08372962

Charge

0

InChI

InChI=1S/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3

InChIKey

HQKSINSCHCDMLS-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1ccc2c(c1)cccc2

Isomeric Smiles

c12c(ccc(c1)C(=O)OCC)cccc2

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.3230076

LogD (pH = 7.4)

3.3230076

Log P

3.3230076

Molar Refractivity

59.2821

Polarizability

24.14337

Polar Surface Area

26.3

Rotatable Bonds

3

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