Molecule

ID:112585

General Information

Structure

Molecular Formula

C₁₆H₁₄

Molecular Mass

206.28236

Exact Mass

206.10955045

Charge

0

InChI

InChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11-12H,6,10H2

InChIKey

JKTVTLYXBAHXCW-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)C1=CCCc2c1cccc2

Isomeric Smiles

C1Cc2ccccc2C(=C1)c1ccccc1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.579477

LogD (pH = 7.4)

4.579477

Log P

4.579477

Molar Refractivity

78.2095

Polarizability

26.442373

Polar Surface Area

0.0

Rotatable Bonds

1

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