Molecule

ID:45993

General Information

Structure

Molecular Formula

C₈H₁₅NO₂

Molecular Mass

157.2102

Exact Mass

157.11027873

Charge

0

InChI

InChI=1S/C8H15NO2/c1-2-7(10-3-1)6-11-8-4-9-5-8/h7-9H,1-6H2

InChIKey

ZCCSMDFZRIFWOH-UHFFFAOYSA-N

Canonic Smiles

C1COC(C1)COC1CNC1

Isomeric Smiles

N1CC(OCC2OCCC2)C1

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.8882456

LogD (pH = 7.4)

-1.3158306

Log P

0.06697717

Molar Refractivity

41.6928

Polarizability

16.927067

Polar Surface Area

30.49

Rotatable Bonds

3

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