Molecule

ID:108751

General Information

Structure

Molecular Formula

C₁₃H₁₂

Molecular Mass

168.23438

Exact Mass

168.09390038

Charge

0

InChI

InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2

InChIKey

RJFCFNWLPJRCLR-UHFFFAOYSA-N

Canonic Smiles

C=CCc1cccc2c1cccc2

Isomeric Smiles

C=CCc1c2ccccc2ccc1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.061293

LogD (pH = 7.4)

4.061293

Log P

4.061293

Molar Refractivity

56.7955

Polarizability

23.378296

Polar Surface Area

0.0

Rotatable Bonds

2

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