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C24H17NO6S3 | Cheminformatics
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[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Molecular Formula : C24H17NO6S3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate is not a drug-like molecule.

MolName : [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

MolecularFormula : C24H17NO6S3

Smiles : O=C(/C(/SC1=S)=C\c(cc2)ccc2OS(c(cc2)cc3c2OCCO3)(=O)=O)N1c1ccccc1

InChI : InChI=1S/C24H17NO6S3/c26-23-22(33-24(32)25(23)17-4-2-1-3-5-17)14-16-6-8-18(9-7-16)31-34(27,28)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,14-15H,12-13H2

InChIK : WQBSUZQMLRZXLY-UHFFFAOYSA-N

TotalMolweight : 511.598

Molweight : 511.598

MonoisotopicMass : 511.021799

CLogP : 3.75

CLogS : -5.939

H Acceptors : 7

TotalSurfaceArea : 354.84

Relative PSA : 0.34004

PolarSurfaceArea : 147.91

Druglikeness : -3.8326

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 5

Amides : 1

StereoCon :

Click to Load Molecule:
1 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate
2 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate
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Request More Details | [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate


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