Molecule

ID:24336

General Information

Structure

MolImage

Molecular Formula

C₇H₁₆N₂O

Molecular Mass

144.21474

Exact Mass

144.12626314

Charge

0

InChI

InChI=1S/C7H16N2O/c1-7(2,3)9-5-4-6(8)10/h9H,4-5H2,1-3H3,(H2,8,10)

InChIKey

GCKGKTYJDWPLCG-UHFFFAOYSA-N

Canonic Smiles

NC(=O)CCNC(C)(C)C

Isomeric Smiles

C(=O)(CCNC(C)(C)C)N

Calculated Properties

JChem

Acid pKa

17.018356

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.4432812

LogD (pH = 7.4)

-2.6542642

Log P

-0.23086539

Molar Refractivity

41.1052

Polarizability

16.35698

Polar Surface Area

55.12

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