Molecule

ID:58964

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀N₂O

Molecular Mass

114.1457

Exact Mass

114.07931295

Charge

0

InChI

InChI=1S/C5H10N2O/c1-7-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3

InChIKey

VZDMTWJWRRUJED-UHFFFAOYSA-N

Canonic Smiles

O=C1C(N)CCN1C

Isomeric Smiles

C1(=O)C(CCN1C)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-4.0647635

LogD (pH = 7.4)

-2.4395254

Log P

-1.406675

Molar Refractivity

30.2607

Polarizability

11.95924

Polar Surface Area

46.33

Rotatable Bonds

0

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