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

Formula:C20H17N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C20H17N5O6S
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C/c(cc2)cc([N+]([O-])=O)c2O)=NC1=O)=O
InChI	InChI=1S/C20H17N5O6S/c26-17-6-5-13(11-16(17)25(30)31)12-18-19(27)21-20(32-18)23-9-7-22(8-10-23)14-3-1-2-4-15(14)24(28)29/h1-6,11-12,26H,7-10H2
InChIK	LETJXKGJEHKCNH-UHFFFAOYSA-N
TotalMolweight	455.45
Molweight	455.45
MonoisotopicMass	455.089955
CLogP	0.9417
CLogS	-4.881
H Acceptors	11
H Donors	1
TotalSurfaceArea	318.27
Relative PSA	0.38672
PolarSurfaceArea	173.08
Druglikeness	1.1717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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

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