Molecule

ID:110683

General Information

Structure

MolImage

Molecular Formula

C₁₅H₁₈O₂

Molecular Mass

230.30222

Exact Mass

230.13067982

Charge

0

InChI

InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3

InChIKey

FKWGVMQNGUQXDN-UHFFFAOYSA-N

Canonic Smiles

CC/C=C/CCOC(=O)/C=C/c1ccccc1

Isomeric Smiles

CC/C=C/CCOC(=O)/C=C/c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.3664284

LogD (pH = 7.4)

4.3664284

Log P

4.3664284

Molar Refractivity

72.0212

Polarizability

27.279478

Polar Surface Area

26.3

Rotatable Bonds

7

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