Molecule

ID:59208

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄N₂O

Molecular Mass

142.19886

Exact Mass

142.11061308

Charge

0

InChI

InChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)

InChIKey

BTVJTKWOCSGJDQ-UHFFFAOYSA-N

Canonic Smiles

CN1CCC(CC1)C(=O)N

Isomeric Smiles

C1CN(CCC1C(=O)N)C

Calculated Properties

JChem

Acid pKa

16.732683

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.7748976

LogD (pH = 7.4)

-2.2119071

Log P

-0.5436625

Molar Refractivity

40.1922

Polarizability

15.631624

Polar Surface Area

46.33

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