3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C12H9N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C12H9N3O3S2
Smiles	[O-][N+](c1c(/C=C/C=N\N(C(CS2)=O)C2=S)cccc1)=O
InChI	InChI=1S/C12H9N3O3S2/c16-11-8-20-12(19)14(11)13-7-3-5-9-4-1-2-6-10(9)15(17)18/h1-7H,8H2
InChIK	FUPGXHLHWHUSHG-UHFFFAOYSA-N
TotalMolweight	307.353
Molweight	307.353
MonoisotopicMass	307.008532
CLogP	0.0385
CLogS	-4.017
H Acceptors	6
TotalSurfaceArea	226.7
Relative PSA	0.4588
PolarSurfaceArea	135.88
Druglikeness	-1.2139
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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