(E)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one

Formula:C15H11N2OFS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one is a drug-like molecule.

MolName	(E)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
MolecularFormula	C15H11N2OFS
Smiles	CC(/C=C/c1c(-c(cc2)ccc2F)nc2sccn12)=O
InChI	InChI=1S/C15H11FN2OS/c1-10(19)2-7-13-14(11-3-5-12(16)6-4-11)17-15-18(13)8-9-20-15/h2-9H,1H3
InChIK	KRNIHOFQMIPOPX-UHFFFAOYSA-N
TotalMolweight	286.329
Molweight	286.329
MonoisotopicMass	286.057611
CLogP	3.1298
CLogS	-3.313
H Acceptors	3
TotalSurfaceArea	215.83
Relative PSA	0.24241
PolarSurfaceArea	62.61
Druglikeness	-1.8205
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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