Molecule

ID:82138

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₃S₂
Molecular Mass
236.35154
Exact Mass
236.05408637
Charge
0
InChI
InChI=1S/C9H16O3S2/c1-3-9(4-10-7-11-5-9)6-12-8(13)14-2/h3-7H2,1-2H3
InChIKey
IFUPIHLFWCNWFD-UHFFFAOYSA-N
Canonic Smiles
CCC1(COC(=S)SC)COCOC1
Isomeric Smiles
S=C(OCC1(COCOC1)CC)SC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.916498
LogD (pH = 7.4)
2.916498
Log P
2.916498
Molar Refractivity
61.9586
Polarizability
25.212622
Polar Surface Area
27.69
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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
Navigation