Molecule

ID:126042

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅O₂PS₂
Molecular Mass
262.328661
Exact Mass
262.02510835
Charge
0
InChI
InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3
InChIKey
LUCDVNXIIQYRLZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(Oc1ccc(cc1)SC)C
Isomeric Smiles
S=P(Oc1ccc(SC)cc1)(OCC)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.362313
LogD (pH = 7.4)
3.362313
Log P
3.362313
Molar Refractivity
71.4186
Polarizability
28.7683
Polar Surface Area
18.46
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
References
Bioactivity
Navigation