(2E)-6-(4-nitrophenyl)-2-(2-oxo-1H-indol-3-ylidene)imidazo[2,1-b][1,3]thiazol-3-one

Formula:C19H10N4O4S Mutagenic:low Tumorigenic:none Reproductive Effective:none (2E)-6-(4-nitrophenyl)-2-(2-oxo-1H-indol-3-ylidene)imidazo[2,1-b][1,3]thiazol-3-one is a drug-like molecule.

MolName	(2E)-6-(4-nitrophenyl)-2-(2-oxo-1H-indol-3-ylidene)imidazo[2,1-b][1,3]thiazol-3-one
MolecularFormula	C19H10N4O4S
Smiles	[O-][N+](c(cc1)ccc1-c1cn(C(/C(/S2)=C(/c(cccc3)c3N3)\C3=O)=O)c2n1)=O
InChI	InChI=1S/C19H10N4O4S/c24-17-15(12-3-1-2-4-13(12)20-17)16-18(25)22-9-14(21-19(22)28-16)10-5-7-11(8-6-10)23(26)27/h1-9H,(H,20,24)
InChIK	GCXZKXQLOGPQSM-UHFFFAOYSA-N
TotalMolweight	390.378
Molweight	390.378
MonoisotopicMass	390.042276
CLogP	1.2945
CLogS	-4.594
H Acceptors	8
H Donors	1
TotalSurfaceArea	264.78
Relative PSA	0.3901
PolarSurfaceArea	135.11
Druglikeness	-0.097071
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (2E)-6-(4-nitrophenyl)-2-(2-oxo-1H-indol-3-ylidene)imidazo[2,1-b][1,3]thiazol-3-one | 2 - (2E)-6-(4-nitrophenyl)-2-(2-oxo-1H-indol-3-ylidene)imidazo[2,1-b][1,3]thiazol-3-one

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