Molecule

ID:23635

General Information

Structure

MolImage

Molecular Formula

C₄H₁₀N₂O₂

Molecular Mass

118.1344

Exact Mass

118.07422757

Charge

0

InChI

InChI=1S/C4H10N2O2/c1-2-8-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)

InChIKey

NBPLLPBYZXYAMN-UHFFFAOYSA-N

Canonic Smiles

CCOCC(=O)NN

Isomeric Smiles

C(=O)(NN)COCC

Calculated Properties

JChem

Acid pKa

12.587734

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.1463277

LogD (pH = 7.4)

-1.1441088

Log P

-1.1440777

Molar Refractivity

30.152

Polarizability

11.485321

Polar Surface Area

64.35

Rotatable Bonds

3

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