Molecule

ID:54228

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₁N₃

Molecular Mass

173.21444

Exact Mass

173.09529737

Charge

0

InChI

InChI=1S/C10H11N3/c1-13-10(6-7-12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3

InChIKey

MWLQEHGVMZEGAQ-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)c1ccnn1C

Isomeric Smiles

n1(nccc1c1ccc(N)cc1)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.1239018

LogD (pH = 7.4)

1.1392077

Log P

1.1394064

Molar Refractivity

64.6755

Polarizability

21.018534

Polar Surface Area

43.84

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