Molecule

ID:79774

General Information

Structure

MolImage

Molecular Formula

C₁₉H₃₆O₄

Molecular Mass

328.48674

Exact Mass

328.26135963

Charge

0

InChI

InChI=1S/C19H36O4/c1-3-5-7-9-11-13-15-22-18(20)17-19(21)23-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChIKey

DTVMXQFQTCJMOR-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCOC(=O)CC(=O)OCCCCCCCC

Isomeric Smiles

O=C(CC(=O)OCCCCCCCC)OCCCCCCCC

Calculated Properties

JChem

Acid pKa

12.35942

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

6.1634655

LogD (pH = 7.4)

6.0563126

Log P

6.165018

Molar Refractivity

93.0812

Polarizability

37.252064

Polar Surface Area

52.6

Rotatable Bonds

18

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