Molecule

ID:128341

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl₂O₂PS₃
Molecular Mass
349.257201
Exact Mass
347.90358458
Charge
0
InChI
InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3
InChIKey
IHCHKPCNDMQWGF-UHFFFAOYSA-N
Canonic Smiles
COP(=S)(SCSc1cc(Cl)ccc1Cl)OC
Isomeric Smiles
Clc1ccc(Cl)cc1SCSP(=S)(OC)OC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7819767
LogD (pH = 7.4)
4.7819767
Log P
4.7819767
Molar Refractivity
84.19
Polarizability
33.8696
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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