Molecule

ID:112136

General Information

Structure

Molecular Formula

C₁₇H₃₆O

Molecular Mass

256.46714

Exact Mass

256.27661577

Charge

0

InChI

InChI=1S/C17H36O/c1-4-6-8-10-11-12-14-16-17(3,18)15-13-9-7-5-2/h18H,4-16H2,1-3H3

InChIKey

HKDPKAYLSXFJOU-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC(CCCCCC)(O)C

Isomeric Smiles

CCCCCCCCCC(C)(O)CCCCCC

Calculated Properties

JChem

Acid pKa

19.302486

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

6.4706826

LogD (pH = 7.4)

6.4706826

Log P

6.4706826

Molar Refractivity

81.7259

Polarizability

32.707966

Polar Surface Area

20.23

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