Molecule

ID:78808

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₄O₄S
Molecular Mass
440.1252
Exact Mass
437.90539052
Charge
0
InChI
InChI=1S/C16H10Cl4O4S/c17-7-15(21)23-11-3-1-9(19)5-13(11)25-14-6-10(20)2-4-12(14)24-16(22)8-18/h1-6H,7-8H2
InChIKey
MDYGDVMPYHVXMD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Oc1ccc(cc1Sc1cc(Cl)ccc1OC(=O)CCl)Cl
Isomeric Smiles
S(c1c(ccc(c1)Cl)OC(=O)CCl)c1cc(ccc1OC(=O)CCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.659294
LogD (pH = 7.4)
5.659294
Log P
5.659294
Molar Refractivity
100.1229
Polarizability
39.41944
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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