Molecule

ID:60256

General Information

Structure

MolImage

Molecular Formula

C₆H₁₄N₂O

Molecular Mass

130.18816

Exact Mass

130.11061308

Charge

0

InChI

InChI=1S/C6H14N2O/c1-4-5(7)6(9)8(2)3/h5H,4,7H2,1-3H3

InChIKey

WRVUTVMOKGGDME-UHFFFAOYSA-N

Canonic Smiles

CCC(C(=O)N(C)C)N

Isomeric Smiles

C(=O)(N(C)C)C(N)CC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.100179

LogD (pH = 7.4)

-1.4907128

Log P

-0.4157794

Molar Refractivity

36.6369

Polarizability

14.517068

Polar Surface Area

46.33

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

No Data Available

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Molecule Details

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References

Bioactivity