Molecule

ID:50428

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄N₂O

Molecular Mass

142.19886

Exact Mass

142.11061308

Charge

0

InChI

InChI=1S/C7H14N2O/c1-2-9-6-5-8-4-3-7(9)10/h8H,2-6H2,1H3

InChIKey

MUZZVHRAFQCTNF-UHFFFAOYSA-N

Canonic Smiles

CCN1CCNCCC1=O

Isomeric Smiles

C1(=O)N(CC)CCNCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.2080355

LogD (pH = 7.4)

-1.4759421

Log P

-0.6521899

Molar Refractivity

39.8726

Polarizability

15.631624

Polar Surface Area

32.34

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