Molecule

ID:52984

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

0

InChI

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

InChIKey

RXCDLZYADCEBFO-UHFFFAOYSA-N

Canonic Smiles

COc1c(N)cccc1C(C)C

Isomeric Smiles

c1(cccc(c1OC)C(C)C)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.170111

LogD (pH = 7.4)

2.2308254

Log P

2.2316577

Molar Refractivity

51.4124

Polarizability

19.441433

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

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Molecule Details

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References

Bioactivity