Molecule

ID:33390

General Information

Structure

MolImage

Molecular Formula

C₆H₁₅NO

Molecular Mass

117.1894

Exact Mass

117.11536411

Charge

0

InChI

InChI=1S/C6H15NO/c1-3-7-6(2)4-5-8/h6-8H,3-5H2,1-2H3

InChIKey

AXCSUIBUZBQBGT-UHFFFAOYSA-N

Canonic Smiles

OCCC(NCC)C

Isomeric Smiles

N(C(CCO)C)CC

Calculated Properties

JChem

Acid pKa

15.925038

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.2758627

LogD (pH = 7.4)

-2.696436

Log P

-0.049637765

Molar Refractivity

35.0185

Polarizability

13.926987

Polar Surface Area

32.26

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