Molecule

ID:61789

General Information

Structure

MolImage

Molecular Formula

C₆H₁₁N

Molecular Mass

97.15824

Exact Mass

97.08914936

Charge

0

InChI

InChI=1S/C6H11N/c1-2-6(3-1)4-7-5-6/h7H,1-5H2

InChIKey

QPEJAHMNOVMSOZ-UHFFFAOYSA-N

Canonic Smiles

C1CC2(C1)CNC2

Isomeric Smiles

C1NCC21CCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.5836139

LogD (pH = 7.4)

-2.1299696

Log P

0.6480742

Molar Refractivity

29.1479

Polarizability

11.859141

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