Molecule

ID:91052

General Information

Structure

Molecular Formula

C₁₇H₃₂O₂

Molecular Mass

268.43478

Exact Mass

268.24023026

Charge

0

InChI

InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-16H2,(H,18,19)

InChIKey

KMWWFKLFHOTNEH-UHFFFAOYSA-N

Canonic Smiles

C=CCCCCCCCCCCCCCCC(=O)O

Isomeric Smiles

OC(=O)CCCCCCCCCCCCCCC=C

Calculated Properties

JChem

Acid pKa

4.9520197

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

5.741358

LogD (pH = 7.4)

3.9822228

Log P

6.3971634

Molar Refractivity

81.7287

Polarizability

32.32039

Polar Surface Area

37.3

Rotatable Bonds

15

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity