(5Z)-3-benzyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H15N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-benzyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-benzyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H15N3O3S2
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)ccc1)=O
InChI	InChI=1S/C21H15N3O3S2/c25-20-19(29-21(28)23(20)14-15-5-2-1-3-6-15)13-18-7-4-12-22(18)16-8-10-17(11-9-16)24(26)27/h1-13H,14H2
InChIK	KZSDEJMYQUURRP-UHFFFAOYSA-N
TotalMolweight	421.5
Molweight	421.5
MonoisotopicMass	421.055482
CLogP	2.1325
CLogS	-7.258
H Acceptors	6
TotalSurfaceArea	308.87
Relative PSA	0.32172
PolarSurfaceArea	128.45
Druglikeness	-0.82833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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