[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,5-bis(trifluoromethyl)benzoate

Formula:C18H9O3ClF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,5-bis(trifluoromethyl)benzoate is not a drug-like molecule.

MolName	[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3,5-bis(trifluoromethyl)benzoate
MolecularFormula	C18H9O3ClF6
Smiles	O=C(/C=C/OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C18H9ClF6O3/c19-14-3-1-10(2-4-14)15(26)5-6-28-16(27)11-7-12(17(20,21)22)9-13(8-11)18(23,24)25/h1-9H
InChIK	VVZGGVJUOAYIRQ-UHFFFAOYSA-N
TotalMolweight	422.707
Molweight	422.707
MonoisotopicMass	422.01444
CLogP	5.0431
CLogS	-6.159
H Acceptors	3
TotalSurfaceArea	279.36
Relative PSA	0.12915
PolarSurfaceArea	43.37
Druglikeness	-7.5936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	10
StereoCon

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