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

Formula:C21H12O3F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C21H12O3F6
Smiles	Oc(cccc1)c1C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)=O
InChI	InChI=1S/C21H12F6O3/c22-20(23,24)13-9-12(10-14(11-13)21(25,26)27)19-8-6-15(30-19)5-7-18(29)16-3-1-2-4-17(16)28/h1-11,28H
InChIK	YXTHQINUOANBRX-UHFFFAOYSA-N
TotalMolweight	426.311
Molweight	426.311
MonoisotopicMass	426.069063
CLogP	5.5936
CLogS	-6.56
H Acceptors	3
H Donors	1
TotalSurfaceArea	291.99
Relative PSA	0.13785
PolarSurfaceArea	50.44
Druglikeness	-5.416
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	8
StereoCon

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