Molecule

ID:18319

General Information

Structure

MolImage

Molecular Formula

C₅H₁₃NO

Molecular Mass

103.16282

Exact Mass

103.09971404

Charge

0

InChI

InChI=1S/C5H13NO/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3

InChIKey

USECIYVEPXUVHT-UHFFFAOYSA-N

Canonic Smiles

NCCOC(C)C

Isomeric Smiles

NCCOC(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.8821144

LogD (pH = 7.4)

-1.9061294

Log P

0.1009486

Molar Refractivity

30.1297

Polarizability

12.157154

Polar Surface Area

35.25

Rotatable Bonds

3

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