Molecule

ID:110769

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₄O₂

Molecular Mass

214.25976

Exact Mass

214.09937969

Charge

0

InChI

InChI=1S/C14H14O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3

InChIKey

RVFNBABJYWYXFR-UHFFFAOYSA-N

Canonic Smiles

O=C(C(C)C)Oc1ccc2c(c1)cccc2

Isomeric Smiles

CC(C)C(=O)Oc1ccc2ccccc2c1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.8135056

LogD (pH = 7.4)

3.8135056

Log P

3.8135056

Molar Refractivity

62.842

Polarizability

25.994284

Polar Surface Area

26.3

Rotatable Bonds

3

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