Molecule

ID:45995

General Information

Structure

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-9-3-2-4-10-7-5-8-6-7/h7-8H,2-6H2,1H3

InChIKey

VMXPYEXAUPRHIC-UHFFFAOYSA-N

Canonic Smiles

COCCCOC1CNC1

Isomeric Smiles

N1CC(C1)OCCCOC

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.2939425

LogD (pH = 7.4)

-1.7216154

Log P

-0.33862764

Molar Refractivity

39.347

Polarizability

15.811754

Polar Surface Area

30.49

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