Molecule

ID:42867

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅N₃

Molecular Mass

153.2248

Exact Mass

153.1265975

Charge

0

InChI

InChI=1S/C8H15N3/c1-2-10-5-7-11(4-3-9)8-6-10/h2,4-8H2,1H3

InChIKey

HUOKGKBTYCFARR-UHFFFAOYSA-N

Canonic Smiles

CCN1CCN(CC1)CC#N

Isomeric Smiles

C1N(CCN(C1)CC#N)CC

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-2.6662488

LogD (pH = 7.4)

-0.89272404

Log P

-0.069970824

Molar Refractivity

45.8507

Polarizability

17.63117

Polar Surface Area

30.27

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