Molecule

ID:87844

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

0

InChI

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

InChIKey

ULGVTFHMCLFGSU-UHFFFAOYSA-N

Canonic Smiles

Cc1ccccc1c1cc[nH]n1

Isomeric Smiles

n1c(c2c(cccc2)C)cc[nH]1

Calculated Properties

JChem

Acid pKa

14.837981

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.8237467

LogD (pH = 7.4)

2.8239245

Log P

2.823927

Molar Refractivity

49.5508

Polarizability

19.931437

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