Molecule

ID:115204

General Information

Structure

MolImage

Molecular Formula

C₁₃H₁₂N₂

Molecular Mass

196.24778

Exact Mass

196.10004839

Charge

0

InChI

InChI=1S/C13H12N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,14H2,1H3

InChIKey

AIMXMLCYGWOKDI-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)c1ccccc1n2C

Isomeric Smiles

n1(c2c(c3c1cccc3)cc(cc2)N)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.4817152

LogD (pH = 7.4)

2.4855862

Log P

2.4856358

Molar Refractivity

63.0693

Polarizability

26.145206

Polar Surface Area

30.95

Rotatable Bonds

0

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