Molecule

ID:80965

General Information

Structure

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

0

InChI

InChI=1S/C10H10N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h1-8H,9H2

InChIKey

RMCRMKZIVXSMLL-UHFFFAOYSA-N

Canonic Smiles

n1ccc(cc1)Cn1cccc1

Isomeric Smiles

n1(cccc1)Cc1ccncc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.490742

LogD (pH = 7.4)

1.7777343

Log P

1.7836066

Molar Refractivity

48.1692

Polarizability

18.506033

Polar Surface Area

17.82

Rotatable Bonds

2

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

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References

Bioactivity