Molecule

ID:89258

General Information

Structure

Molecular Formula

C₁₂H₁₄N₂

Molecular Mass

186.25296

Exact Mass

186.11569846

Charge

0

InChI

InChI=1S/C12H14N2/c1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11/h4-8H,1-3H3

InChIKey

MMXSHBZOILNLPJ-UHFFFAOYSA-N

Canonic Smiles

CC(c1cnc2c(n1)cccc2)(C)C

Isomeric Smiles

n1c(cnc2ccccc12)C(C)(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.22988

LogD (pH = 7.4)

3.2299836

Log P

3.229985

Molar Refractivity

55.7443

Polarizability

23.423723

Polar Surface Area

25.78

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity