Molecule

ID:10784

General Information

Structure

Molecular Formula

C₁₆H₃₄OS

Molecular Mass

274.50556

Exact Mass

274.23303671

Charge

0

InChI

InChI=1S/C16H34OS/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2

InChIKey

GRUQGBJWKWOITP-UHFFFAOYSA-N

Canonic Smiles

OCCCCCCCCCCCCCCCCS

Isomeric Smiles

C(CCCCCCCCCCCCCCCS)O

Calculated Properties

JChem

Acid pKa

10.200824

H Acceptors

1

H Donor

2

LogD (pH = 5.5)

5.9548287

LogD (pH = 7.4)

5.9542

Log P

5.954837

Molar Refractivity

85.3042

Polarizability

33.90415

Polar Surface Area

20.23

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

暂无数据

点击上传数据

References

Bioactivity