(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one

Formula:C21H10O2Cl2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C21H10O2Cl2F6
Smiles	O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C21H10Cl2F6O2/c22-16-4-1-11(9-17(16)23)18(30)5-2-15-3-6-19(31-15)12-7-13(20(24,25)26)10-14(8-12)21(27,28)29/h1-10H
InChIK	YRGMJEIRNURQHA-UHFFFAOYSA-N
TotalMolweight	479.202
Molweight	479.202
MonoisotopicMass	477.996202
CLogP	7.1513
CLogS	-8.328
H Acceptors	2
TotalSurfaceArea	316.48
Relative PSA	0.085787
PolarSurfaceArea	30.21
Druglikeness	-5.367
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	8
StereoCon

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