Molecule

ID:27109

General Information

Structure

MolImage

Molecular Formula

C₅H₁₂N₂O

Molecular Mass

116.16158

Exact Mass

116.09496301

Charge

0

InChI

InChI=1S/C5H12N2O/c1-4(2)3-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)

InChIKey

OQNKZWDYYSHLPO-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)CC(C)C

Isomeric Smiles

C(=O)(NN)CC(C)C

Calculated Properties

JChem

Acid pKa

13.452253

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

0.10280867

LogD (pH = 7.4)

0.105326995

Log P

0.105359584

Molar Refractivity

32.7265

Polarizability

12.581209

Polar Surface Area

55.12

Rotatable Bonds

2

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