Molecule

ID:13972

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

0

InChI

InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3

InChIKey

LQISONQSSGPXMA-UHFFFAOYSA-N

Canonic Smiles

CCOc1ccc(cc1)C(N)C

Isomeric Smiles

c1(ccc(cc1)OCC)C(N)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.2912616

LogD (pH = 7.4)

-0.5333176

Log P

1.714726

Molar Refractivity

50.162

Polarizability

19.912262

Polar Surface Area

35.25

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