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

Formula:C18H16N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
MolecularFormula	C18H16N4O3S2
Smiles	[O-][N+](c(cccc1)c1N(CC1)CCN1C(S/C1=C/c2cccs2)=NC1=O)=O
InChI	InChI=1S/C18H16N4O3S2/c23-17-16(12-13-4-3-11-26-13)27-18(19-17)21-9-7-20(8-10-21)14-5-1-2-6-15(14)22(24)25/h1-6,11-12H,7-10H2
InChIK	CDXIPILNPFZFKH-UHFFFAOYSA-N
TotalMolweight	400.482
Molweight	400.482
MonoisotopicMass	400.066381
CLogP	2.0756
CLogS	-4.727
H Acceptors	7
TotalSurfaceArea	284.19
Relative PSA	0.3516
PolarSurfaceArea	135.27
Druglikeness	1.625
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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