Molecule

ID:52930

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

0

InChI

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

InChIKey

RITIBMKMOLMSPL-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)C(N)(C)C

Isomeric Smiles

c1(ccc(cc1)C(N)(C)C)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.3786727

LogD (pH = 7.4)

-0.7965556

Log P

1.6384947

Molar Refractivity

50.0516

Polarizability

19.911972

Polar Surface Area

35.25

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity