Molecule

ID:125365

General Information

Structure

MolImage

Molecular Formula

C₁₃H₁₀N₂

Molecular Mass

194.2319

Exact Mass

194.08439833

Charge

0

InChI

InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2

InChIKey

GHCKERHPOQWERJ-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)nc1c(c2)cccc1

Isomeric Smiles

n1c2c(cc3c1cccc3)ccc(c2)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.2476339

LogD (pH = 7.4)

2.451224

Log P

2.6773016

Molar Refractivity

60.7579

Polarizability

25.818401

Polar Surface Area

38.91

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity