Molecule

ID:52892

General Information

Structure

Molecular Formula

C₁₁H₁₀N₂

Molecular Mass

170.2105

Exact Mass

170.08439833

Charge

0

InChI

InChI=1S/C11H10N2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H,12H2

InChIKey

VPZCNNNHCMBJCM-UHFFFAOYSA-N

Canonic Smiles

Nc1ccccc1c1ccccn1

Isomeric Smiles

c1(ccccc1N)c1ccccn1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.9404204

LogD (pH = 7.4)

1.9594746

Log P

1.9597231

Molar Refractivity

53.3657

Polarizability

21.626678

Polar Surface Area

38.91

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