Molecule

ID:71722

General Information

Structure

MolImage

Molecular Formula

C₆H₇N₃

Molecular Mass

121.13988

Exact Mass

121.06399724

Charge

0

InChI

InChI=1S/C6H7N3/c1-5-6(3-7)4-8-9(5)2/h4H,1-2H3

InChIKey

WFJIZCZXTPDLEO-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cnn(c1C)C

Isomeric Smiles

n1(c(c(cn1)C#N)C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.45672092

LogD (pH = 7.4)

0.45676285

Log P

0.4567634

Molar Refractivity

45.8327

Polarizability

12.503036

Polar Surface Area

41.61

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