Molecule

ID:112209

General Information

Structure

MolImage

Molecular Formula

C₁₆H₃₁O₂-

Molecular Mass

255.41614

Exact Mass

255.23240523

Charge

-1

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)/p-1

InChIKey

QMTHILFALDMACK-UHFFFAOYSA-M

Canonic Smiles

CCCCCCCC(C(=O)[O-])CCCCCCC

Isomeric Smiles

CCCCCCCC(CCCCCCC)C(=O)[O-]

Calculated Properties

JChem

Acid pKa

5.315839

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

5.9523964

LogD (pH = 7.4)

4.28258

Log P

6.3550005

Molar Refractivity

87.8942

Polarizability

30.60571

Polar Surface Area

40.13

Rotatable Bonds

13

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