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

Formula:C21H11O3Cl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione is not a drug-like molecule.

MolName	(2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione
MolecularFormula	C21H11O3Cl2F3
Smiles	O=C(C(F)(F)F)/C(/C(c1ccccc1)=O)=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C21H11Cl2F3O3/c22-13-6-8-17(23)15(10-13)18-9-7-14(29-18)11-16(20(28)21(24,25)26)19(27)12-4-2-1-3-5-12/h1-11H
InChIK	QDMZUWVXMJWTDD-UHFFFAOYSA-N
TotalMolweight	439.215
Molweight	439.215
MonoisotopicMass	438.003733
CLogP	5.9468
CLogS	-7.558
H Acceptors	3
TotalSurfaceArea	302.98
Relative PSA	0.13265
PolarSurfaceArea	47.28
Druglikeness	-31.321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
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-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione | 2 - (2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione

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