(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Formula:C17H10N2O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H10N2O6S
Smiles	[O-][N+](c1c(/C=C(\C(N2c3ccccc3)=O)/SC2=O)cc2OCOc2c1)=O
InChI	InChI=1S/C17H10N2O6S/c20-16-15(26-17(21)18(16)11-4-2-1-3-5-11)7-10-6-13-14(25-9-24-13)8-12(10)19(22)23/h1-8H,9H2
InChIK	IGXRXMLQPCAAIO-UHFFFAOYSA-N
TotalMolweight	370.34
Molweight	370.34
MonoisotopicMass	370.025958
CLogP	2.4273
CLogS	-5.803
H Acceptors	8
TotalSurfaceArea	251.45
Relative PSA	0.38791
PolarSurfaceArea	126.96
Druglikeness	-1.925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Request More Details | (5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments