Molecule

ID:131112

General Information

Structure

MolImage

Molecular Formula

C₁₆H₃₂O₂

Molecular Mass

258.41662199

Exact Mass

258.24347225

Charge

0

InChI

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+2

InChIKey

IPCSVZSSVZVIGE-VPMSBSONSA-N

Canonic Smiles

CCCCCCCCCCCCCCC[14C](=O)O

Isomeric Smiles

CCCCCCCCCCCCCCC[14C](=O)O

Calculated Properties

JChem

Acid pKa

4.9520197

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

5.600777

LogD (pH = 7.4)

3.8416421

Log P

6.2565827

Molar Refractivity

77.0836

Polarizability

30.713764

Polar Surface Area

37.3

Rotatable Bonds

14

Lipinski's Rule of Five

false

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