Molecule

ID:79712

General Information

Structure

Molecular Formula

C₁₁H₁₀

Molecular Mass

142.1971

Exact Mass

142.07825032

Charge

0

InChI

InChI=1S/C11H10/c1-9-5-7-10-3-2-4-11(10)8-6-9/h2-8H,1H3

InChIKey

ZEQVWDSVAGZQEU-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(cc1)ccc2

Isomeric Smiles

Cc1ccc2c(ccc2)cc1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.476144

LogD (pH = 7.4)

3.476144

Log P

3.476144

Molar Refractivity

47.5494

Polarizability

19.82302

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity