Molecule

ID:34506

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-7(6-9)8-2-4-10-5-3-8/h7,9H,2-6H2,1H3

InChIKey

GPRXBRDKYYXGEU-UHFFFAOYSA-N

Canonic Smiles

OCC(N1CCOCC1)C

Isomeric Smiles

N1(C(CO)C)CCOCC1

Calculated Properties

JChem

Acid pKa

15.121294

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.2754657

LogD (pH = 7.4)

-0.64568

Log P

-0.30185798

Molar Refractivity

39.7737

Polarizability

15.740703

Polar Surface Area

32.7

Rotatable Bonds

2

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