Molecule

ID:56066

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

0

InChI

InChI=1S/C10H10N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

InChIKey

PHMIILSQQVFWKC-UHFFFAOYSA-N

Canonic Smiles

Cc1[nH]cc(n1)c1ccccc1

Isomeric Smiles

n1c(c[nH]c1C)c1ccccc1

Calculated Properties

JChem

Acid pKa

14.239084

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.0819365

LogD (pH = 7.4)

1.961365

Log P

2.0109162

Molar Refractivity

48.2177

Polarizability

19.939732

Polar Surface Area

28.68

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