Molecule

ID:74193

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

0

InChI

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

InChIKey

CYGFZUOECZAJFD-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)c1nc[nH]c1

Isomeric Smiles

n1c[nH]cc1c1ccc(cc1)C

Calculated Properties

JChem

Acid pKa

13.773422

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.9242878

LogD (pH = 7.4)

2.3879817

Log P

2.4012728

Molar Refractivity

48.8182

Polarizability

19.939451

Polar Surface Area

28.68

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity