Molecule

ID:59414

General Information

Structure

MolImage

Molecular Formula

C₆H₁₀N₂O₂

Molecular Mass

142.1558

Exact Mass

142.07422757

Charge

0

InChI

InChI=1S/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9)

InChIKey

RDYYZFFSCOVWIM-UHFFFAOYSA-N

Canonic Smiles

CC(c1nnc(o1)O)(C)C

Isomeric Smiles

o1c(nnc1O)C(C)(C)C

Calculated Properties

JChem

Acid pKa

3.8215973

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.15405038

LogD (pH = 7.4)

-0.46705306

Log P

1.2579714

Molar Refractivity

36.5809

Polarizability

13.422144

Polar Surface Area

59.15

Rotatable Bonds

1

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