3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Formula:C17H9N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate is a drug-like molecule.

MolName	3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
MolecularFormula	C17H9N2O5S2
Smiles	[O-]C(c1cccc(N(C(/C(/S2)=C\c(cc3)ccc3[N+]([O-])=O)=O)C2=S)c1)=O
InChI	InChI=1S/C17H10N2O5S2/c20-15-14(8-10-4-6-12(7-5-10)19(23)24)26-17(25)18(15)13-3-1-2-11(9-13)16(21)22/h1-9H,(H,21,22)/p-1
InChIK	UWFQYCKTRNOFEF-UHFFFAOYSA-M
TotalMolweight	385.399
Molweight	385.399
MonoisotopicMass	384.995288
CLogP	-0.6202
CLogS	-5.456
H Acceptors	7
TotalSurfaceArea	271.43
Relative PSA	0.44144
PolarSurfaceArea	163.65
Druglikeness	-2.1241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate | 2 - 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Request More Details | 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments