Molecule

ID:73565

General Information

Structure

MolImage

Molecular Formula

C₈H₁₂N₂

Molecular Mass

136.19428

Exact Mass

136.10004839

Charge

0

InChI

InChI=1S/C8H12N2/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,9-10H2,1H3

InChIKey

CDSPOZXUDJUBEZ-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)C(N)C

Isomeric Smiles

NC(c1ccc(cc1)N)C

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-2.3481786

LogD (pH = 7.4)

-1.6718595

Log P

0.6866633

Molar Refractivity

43.6506

Polarizability

16.70289

Polar Surface Area

52.04

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity