Molecule

ID:34693

General Information

Structure

Molecular Formula

C₈H₁₂N₂

Molecular Mass

136.19428

Exact Mass

136.10004839

Charge

0

InChI

InChI=1S/C8H12N2/c1-6-3-4-8(10-9)5-7(6)2/h3-5,10H,9H2,1-2H3

InChIKey

ACHREEHAAAECOR-UHFFFAOYSA-N

Canonic Smiles

NNc1ccc(c(c1)C)C

Isomeric Smiles

c1(c(ccc(c1)NN)C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

2.1290133

LogD (pH = 7.4)

2.387208

Log P

2.3917313

Molar Refractivity

45.8471

Polarizability

16.437426

Polar Surface Area

38.05

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity