Molecule

ID:112237

General Information

Structure

MolImage

Molecular Formula

C₁₀H₄N₂O₂

Molecular Mass

184.15096

Exact Mass

184.02727738

Charge

0

InChI

InChI=1S/C10H4N2O2/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4H

InChIKey

DSEYQDSKEUBYSA-UHFFFAOYSA-N

Canonic Smiles

N#CC(=O)c1ccc(cc1)C(=O)C#N

Isomeric Smiles

O=C(C#N)c1ccc(cc1)C(=O)C#N

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

1.4569602

LogD (pH = 7.4)

1.4569602

Log P

1.4569602

Molar Refractivity

48.412

Polarizability

17.516605

Polar Surface Area

81.72

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity