(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione

Formula:C22H13N2O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
MolecularFormula	C22H13N2O3FS2
Smiles	O/C(/c1ccccc1)=C(\C(c1cccs1)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O
InChI	InChI=1S/C22H13FN2O3S2/c23-13-8-9-14-16(11-13)30-22(24-14)25-18(15-7-4-10-29-15)17(20(27)21(25)28)19(26)12-5-2-1-3-6-12/h1-11,18,26H/b19-17+/t18-/m0/s1
InChIK	RTTCWDHYRMOFEK-GHNGSUTGSA-N
TotalMolweight	436.486
Molweight	436.486
MonoisotopicMass	436.035161
CLogP	4.2041
CLogS	-5.284
H Acceptors	5
H Donors	1
TotalSurfaceArea	298.44
Relative PSA	0.31638
PolarSurfaceArea	126.98
Druglikeness	-0.17683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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