Molecule

ID:112659

General Information

Structure

MolImage

Molecular Formula

C₁₈H₃₈O

Molecular Mass

270.49372

Exact Mass

270.29226584

Charge

0

InChI

InChI=1S/C18H38O/c1-4-6-8-10-11-13-15-17-18(3,19)16-14-12-9-7-5-2/h19H,4-17H2,1-3H3

InChIKey

IBYDBWBINMVAHU-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC(CCCCCCC)(O)C

Isomeric Smiles

CCCCCCCCCC(C)(O)CCCCCCC

Calculated Properties

JChem

Acid pKa

19.302486

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

6.9152513

LogD (pH = 7.4)

6.9152513

Log P

6.9152513

Molar Refractivity

86.3269

Polarizability

34.554615

Polar Surface Area

20.23

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