Molecule

ID:112883

General Information

Structure

Molecular Formula

C₁₇H₃₀O₅

Molecular Mass

314.4171

Exact Mass

314.20932406

Charge

0

InChI

InChI=1S/C17H30O5/c1-3-5-7-9-11-21-16(19)13-15(18)14-17(20)22-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

PHHVDOWIQMJKIO-UHFFFAOYSA-N

Canonic Smiles

CCCCCCOC(=O)CC(=O)CC(=O)OCCCCCC

Isomeric Smiles

CCCCCCOC(=O)CC(=O)CC(=O)OCCCCCC

Calculated Properties

JChem

Acid pKa

9.7345495

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

4.0647955

LogD (pH = 7.4)

1.907902

Log P

4.6085973

Molar Refractivity

84.5724

Polarizability

33.666286

Polar Surface Area

69.67

Rotatable Bonds

16

Lipinski's Rule of Five

true

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