Molecule

ID:57174

General Information

Structure

MolImage

Molecular Formula

C₇H₁₆N₄O₂

Molecular Mass

188.22754

Exact Mass

188.12732577

Charge

0

InChI

InChI=1S/C7H16N4O2/c8-10-6(12)4-2-1-3-5-7(13)11-9/h1-5,8-9H2,(H,10,12)(H,11,13)

InChIKey

OXAGUPFRAIIDLT-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)CCCCCC(=O)NN

Isomeric Smiles

C(=O)(NN)CCCCCC(=O)NN

Calculated Properties

JChem

Acid pKa

12.72614

H Acceptors

4

H Donor

4

LogD (pH = 5.5)

-1.2767205

LogD (pH = 7.4)

-1.27168

Log P

-1.2716136

Molar Refractivity

49.9526

Polarizability

18.949347

Polar Surface Area

110.24

Rotatable Bonds

6

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