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

Formula:C21H12O2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C21H12O2F6
Smiles	O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1
InChI	InChI=1S/C21H12F6O2/c22-20(23,24)15-10-14(11-16(12-15)21(25,26)27)19-9-7-17(29-19)6-8-18(28)13-4-2-1-3-5-13/h1-12H
InChIK	QDHNXKSJAWPCFD-UHFFFAOYSA-N
TotalMolweight	410.312
Molweight	410.312
MonoisotopicMass	410.074148
CLogP	5.9393
CLogS	-6.856
H Acceptors	2
TotalSurfaceArea	285.64
Relative PSA	0.09505
PolarSurfaceArea	30.21
Druglikeness	-5.4376
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
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	2
Symmetricatoms	10
StereoCon

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