(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one

Formula:C24H18N4O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C24H18N4O4Cl2S
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C/c2ccc(-c(ccc(Cl)c3)c3Cl)o2)=NC1=O)=O
InChI	InChI=1S/C24H18Cl2N4O4S/c25-15-5-7-17(18(26)13-15)21-8-6-16(34-21)14-22-23(31)27-24(35-22)29-11-9-28(10-12-29)19-3-1-2-4-20(19)30(32)33/h1-8,13-14H,9-12H2
InChIK	GGNSPHKVZLMLTO-UHFFFAOYSA-N
TotalMolweight	529.403
Molweight	529.403
MonoisotopicMass	528.04258
CLogP	4.3599
CLogS	-7.649
H Acceptors	8
TotalSurfaceArea	368.54
Relative PSA	0.25417
PolarSurfaceArea	120.17
Druglikeness	1.9381
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one | 2 - (5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one

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