Molecule

ID:42701

General Information

Structure

MolImage

Molecular Formula

C₆H₅N₃

Molecular Mass

119.124

Exact Mass

119.04834718

Charge

0

InChI

InChI=1S/C6H5N3/c1-2-7-6-8-3-5-9(6)4-1/h1-5H

InChIKey

INSWZAQOISIYDT-UHFFFAOYSA-N

Canonic Smiles

c1ccn2c(n1)ncc2

Isomeric Smiles

c12n(cccn2)ccn1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.19777307

LogD (pH = 7.4)

-0.19276935

Log P

-0.1927051

Molar Refractivity

34.7896

Polarizability

12.406762

Polar Surface Area

30.19

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity