Molecule

ID:12358

General Information

Structure

MolImage

Molecular Formula

C₉H₁₀N₂

Molecular Mass

146.1891

Exact Mass

146.08439833

Charge

0

InChI

InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3-5,7,11H,2,6H2

InChIKey

VSECEWAIAJHRGJ-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cn1)C1=CCCN1

Isomeric Smiles

c1cncc(c1)C1=CCCN1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.1473536

LogD (pH = 7.4)

-0.41915995

Log P

0.44723016

Molar Refractivity

45.8537

Polarizability

17.042221

Polar Surface Area

24.92

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