Molecule

ID:136329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂O₃PS
Molecular Mass
315.153181
Exact Mass
313.97000727
Charge
0
InChI
InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKey
WGOWCPGHOCIHBW-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC
Isomeric Smiles
c1cc(cc(c1OP(=S)(OCC)OCC)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5833116
LogD (pH = 7.4)
4.5833116
Log P
4.5833116
Molar Refractivity
74.9741
Polarizability
30.263145
Polar Surface Area
27.69
Rotatable Bonds
6
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
Navigation