(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione

Formula:C21H12O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione is not a drug-like molecule.

MolName	(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione
MolecularFormula	C21H12O3ClF3
Smiles	O=C(C(F)(F)F)/C(/C(c1ccccc1)=O)=C/c1ccc(-c(cccc2)c2Cl)o1
InChI	InChI=1S/C21H12ClF3O3/c22-17-9-5-4-8-15(17)18-11-10-14(28-18)12-16(20(27)21(23,24)25)19(26)13-6-2-1-3-7-13/h1-12H
InChIK	OWAWWQLGUCVEGB-UHFFFAOYSA-N
TotalMolweight	404.77
Molweight	404.77
MonoisotopicMass	404.042706
CLogP	5.3408
CLogS	-6.822
H Acceptors	3
TotalSurfaceArea	287.56
Relative PSA	0.13976
PolarSurfaceArea	47.28
Druglikeness	-31.321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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1 - (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione | 2 - (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione

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