Molecule

ID:33161

General Information

Structure

Molecular Formula

C₉H₁₅NO₂

Molecular Mass

169.2209

Exact Mass

169.11027873

Charge

0

InChI

InChI=1S/C9H15NO2/c1-7(2)9(12)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3

InChIKey

UMFKXYVZVAPTMI-UHFFFAOYSA-N

Canonic Smiles

CC(C(=O)N1CCC(=O)CC1)C

Isomeric Smiles

N1(C(=O)C(C)C)CCC(=O)CC1

Calculated Properties

JChem

Acid pKa

18.67505

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.6435491

LogD (pH = 7.4)

0.64354926

Log P

0.64354926

Molar Refractivity

45.9361

Polarizability

17.874617

Polar Surface Area

37.38

Rotatable Bonds

1

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