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

Formula:C17H9NOCl2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C17H9NOCl2F6
Smiles	O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C17H9Cl2F6NO/c18-13-2-1-9(5-14(13)19)15(27)3-4-26-12-7-10(16(20,21)22)6-11(8-12)17(23,24)25/h1-8,26H
InChIK	QNFKHVZSHRRRCL-UHFFFAOYSA-N
TotalMolweight	428.158
Molweight	428.158
MonoisotopicMass	426.996536
CLogP	5.3831
CLogS	-6.814
H Acceptors	2
H Donors	1
TotalSurfaceArea	278.49
Relative PSA	0.087974
PolarSurfaceArea	29.1
Druglikeness	-6.532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	8
StereoCon

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