Molecule

ID:111630

General Information

Structure

MolImage

Molecular Formula

C₁₇H₃₆O

Molecular Mass

256.46714

Exact Mass

256.27661577

Charge

0

InChI

InChI=1S/C17H36O/c1-4-5-6-7-8-9-10-11-12-13-17(18)15-14-16(2)3/h16-18H,4-15H2,1-3H3

InChIKey

FHDZLAXRYJJPLC-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCC(CCC(C)C)O

Isomeric Smiles

CCCCCCCCCCCC(O)CCC(C)C

Calculated Properties

JChem

Acid pKa

18.47276

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

6.477125

LogD (pH = 7.4)

6.477125

Log P

6.477125

Molar Refractivity

81.6363

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