Molecule

ID:87130

General Information

Structure

Molecular Formula

C₂₀H₁₄

Molecular Mass

254.32516

Exact Mass

254.10955045

Charge

0

InChI

InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H

InChIKey

MSBVBOUOMVTWKE-UHFFFAOYSA-N

Canonic Smiles

c1ccc2c(c1)cc(cc2)c1ccc2c(c1)cccc2

Isomeric Smiles

c1c2ccccc2ccc1c1ccc2ccccc2c1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

5.599425

LogD (pH = 7.4)

5.599425

Log P

5.599425

Molar Refractivity

84.0946

Polarizability

36.928608

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

false

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