(2Z)-4,4,4-trifluoro-1-phenyl-2-(thiophen-2-ylmethylidene)butane-1,3-dione

Formula:C15H9O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-4,4,4-trifluoro-1-phenyl-2-(thiophen-2-ylmethylidene)butane-1,3-dione is a drug-like molecule.

MolName	(2Z)-4,4,4-trifluoro-1-phenyl-2-(thiophen-2-ylmethylidene)butane-1,3-dione
MolecularFormula	C15H9O2F3S
Smiles	O=C(C(F)(F)F)/C(/C(c1ccccc1)=O)=C\c1cccs1
InChI	InChI=1S/C15H9F3O2S/c16-15(17,18)14(20)12(9-11-7-4-8-21-11)13(19)10-5-2-1-3-6-10/h1-9H
InChIK	MMHGQUFWSOYCKW-UHFFFAOYSA-N
TotalMolweight	310.294
Molweight	310.294
MonoisotopicMass	310.027534
CLogP	3.6625
CLogS	-4.636
H Acceptors	2
TotalSurfaceArea	218.63
Relative PSA	0.21241
PolarSurfaceArea	62.38
Druglikeness	-30.692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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1 - (2Z)-4,4,4-trifluoro-1-phenyl-2-(thiophen-2-ylmethylidene)butane-1,3-dione | 2 - (2Z)-4,4,4-trifluoro-1-phenyl-2-(thiophen-2-ylmethylidene)butane-1,3-dione

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