Molecule

ID:50433

General Information

Structure

Molecular Formula

C₉H₁₈N₂O

Molecular Mass

170.25202

Exact Mass

170.14191321

Charge

0

InChI

InChI=1S/C9H18N2O/c1-2-3-7-11-8-6-10-5-4-9(11)12/h10H,2-8H2,1H3

InChIKey

JMUKCQSAVQHDQY-UHFFFAOYSA-N

Canonic Smiles

CCCCN1CCNCCC1=O

Isomeric Smiles

C1(=O)N(CCCC)CCNCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.2409377

LogD (pH = 7.4)

-0.5088441

Log P

0.31490117

Molar Refractivity

48.9976

Polarizability

19.311396

Polar Surface Area

32.34

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