Molecule

ID:68004

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₄N₂

Molecular Mass

162.23156

Exact Mass

162.11569846

Charge

0

InChI

InChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2

InChIKey

MTPBUCCXRGSDCR-UHFFFAOYSA-N

Canonic Smiles

C1CCN(CC1)c1ccncc1

Isomeric Smiles

N1(CCCCC1)c1ccncc1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.73093045

LogD (pH = 7.4)

0.8730386

Log P

1.7139834

Molar Refractivity

50.4717

Polarizability

19.05086

Polar Surface Area

16.13

Rotatable Bonds

1

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