Molecule

ID:11460

General Information

Structure

MolImage

Molecular Formula

C₈H₁₁N

Molecular Mass

121.17964

Exact Mass

121.08914936

Charge

0

InChI

InChI=1S/C8H11N/c1-3-5-7-9-8-6-4-2/h9H,7-8H2,1-2H3

InChIKey

NSSUYRUVVPJZGI-UHFFFAOYSA-N

Canonic Smiles

CC#CCNCC#CC

Isomeric Smiles

C(#CC)CNCC#CC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.45545745

LogD (pH = 7.4)

1.2745943

Log P

1.9361478

Molar Refractivity

40.8554

Polarizability

14.819138

Polar Surface Area

12.03

Rotatable Bonds

4

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