Molecule

ID:41458

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₁N₃

Molecular Mass

221.25724

Exact Mass

221.09529737

Charge

0

InChI

InChI=1S/C14H11N3/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-9H,15H2

InChIKey

FTKCJWKPAZRHTL-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc(c1)c1cnc2c(n1)cccc2

Isomeric Smiles

n1c(c2cc(N)ccc2)cnc2c1cccc2

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

2.4954503

LogD (pH = 7.4)

2.5031292

Log P

2.5032282

Molar Refractivity

66.915

Polarizability

28.320053

Polar Surface Area

51.8

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