Molecule

ID:8308

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₅NO

Molecular Mass

165.2322

Exact Mass

165.11536411

Charge

0

InChI

InChI=1S/C10H15NO/c1-2-12-10-6-4-3-5-9(10)7-8-11/h3-6H,2,7-8,11H2,1H3

InChIKey

VDSGSZWDSYFYCJ-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccccc1OCC

Isomeric Smiles

c1cc(c(cc1)OCC)CCN

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.4184483

LogD (pH = 7.4)

-0.6513471

Log P

1.5868121

Molar Refractivity

50.4982

Polarizability

19.836987

Polar Surface Area

35.25

Rotatable Bonds

4

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