Molecule

ID:79288

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO₂S
Molecular Mass
328.21364
Exact Mass
326.98875496
Charge
0
InChI
InChI=1S/C14H11Cl2NO2S/c15-11-4-1-3-10(9-11)14(18)19-7-8-20-13-6-2-5-12(16)17-13/h1-6,9H,7-8H2
InChIKey
SAXYLTNFQQEYHR-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)SCCOC(=O)c1cccc(c1)Cl
Isomeric Smiles
n1c(cccc1Cl)SCCOC(=O)c1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.952027
LogD (pH = 7.4)
4.952027
Log P
4.952027
Molar Refractivity
83.9619
Polarizability
32.185135
Polar Surface Area
39.19
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
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References
Bioactivity
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