Molecule

ID:58149

General Information

Structure

MolImage

Molecular Formula

C₉H₁₇N

Molecular Mass

139.23798

Exact Mass

139.13609955

Charge

0

InChI

InChI=1S/C9H17N/c1-2-4-9(5-3-1)6-7-10-8-9/h10H,1-8H2

InChIKey

SFCOKGCNIPSUQF-UHFFFAOYSA-N

Canonic Smiles

C1CCC2(CC1)CNCC2

Isomeric Smiles

C12(CCNC1)CCCCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.4149456

LogD (pH = 7.4)

-1.3296665

Log P

1.8258728

Molar Refractivity

43.1049

Polarizability

17.397926

Polar Surface Area

12.03

Rotatable Bonds

0

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