Molecule

ID:60421

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-3-8-6-5-7(9)10-4-2/h8H,3-6H2,1-2H3

InChIKey

CNRWEHBBGLCEHG-UHFFFAOYSA-N

Canonic Smiles

CCNCCC(=O)OCC

Isomeric Smiles

C(=O)(CCNCC)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.8106368

LogD (pH = 7.4)

-1.8354934

Log P

0.38162753

Molar Refractivity

39.7437

Polarizability

15.9186325

Polar Surface Area

38.33

Rotatable Bonds

6

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