Molecule

ID:69769

General Information

Structure

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

0

InChI

InChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)12-8(2)11-7/h3-6H,1-2H3

InChIKey

VDYFFXPVIBDLOT-UHFFFAOYSA-N

Canonic Smiles

Cc1nc2ccccc2c(n1)C

Isomeric Smiles

n1c(nc(c2ccccc12)C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.1322565

LogD (pH = 7.4)

2.143291

Log P

2.1434336

Molar Refractivity

48.0164

Polarizability

19.643894

Polar Surface Area

25.78

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