Molecule

ID:24274

General Information

Structure

MolImage

Molecular Formula

C₇H₁₈N₂

Molecular Mass

130.23122

Exact Mass

130.14699859

Charge

0

InChI

InChI=1S/C7H18N2/c1-3-7(2)9-6-4-5-8/h7,9H,3-6,8H2,1-2H3

InChIKey

RGAYJNGHWOMPBI-UHFFFAOYSA-N

Canonic Smiles

NCCCNC(CC)C

Isomeric Smiles

N(CCCN)C(CC)C

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-5.5314336

LogD (pH = 7.4)

-3.7191958

Log P

0.36600283

Molar Refractivity

41.2

Polarizability

16.705751

Polar Surface Area

38.05

Rotatable Bonds

5

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