Molecule

ID:136641

General Information

Structure

Molecular Formula

C₁₀H₁₆NO

Molecular Mass

166.24014

Exact Mass

166.12318914

Charge

0

InChI

InChI=1S/C10H16NO/c1-10-5-7-2-8(6-10)4-9(3-7)11(10)12/h7-9H,2-6H2,1H3

InChIKey

IBNXYCCLPCGKDM-UHFFFAOYSA-N

Canonic Smiles

[O]N1C2CC3CC1(C)CC(C2)C3

Isomeric Smiles

CC12CC3CC(C1)CC(C3)N2[O]

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.276284

LogD (pH = 7.4)

1.2768388

Log P

1.2768458

Molar Refractivity

46.2929

Polarizability

18.68036

Polar Surface Area

3.24

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity