Molecule

ID:33380

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-4-10-7(9)5-6(2)8-3/h6,8H,4-5H2,1-3H3

InChIKey

BCDWUXYUMDIPLB-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CC(NC)C

Isomeric Smiles

C(=O)(CC(NC)C)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.7514877

LogD (pH = 7.4)

-1.7808955

Log P

0.4413946

Molar Refractivity

39.4139

Polarizability

15.9186325

Polar Surface Area

38.33

Rotatable Bonds

5

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