(E)-1-(4-pyrimidin-2-yloxyphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one

Formula:C20H14N3O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-pyrimidin-2-yloxyphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-pyrimidin-2-yloxyphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
MolecularFormula	C20H14N3O2F3
Smiles	O=C(/C=C/Nc1cccc(C(F)(F)F)c1)c(cc1)ccc1Oc1ncccn1
InChI	InChI=1S/C20H14F3N3O2/c21-20(22,23)15-3-1-4-16(13-15)24-12-9-18(27)14-5-7-17(8-6-14)28-19-25-10-2-11-26-19/h1-13,24H
InChIK	UCOMOUVICGMPOV-UHFFFAOYSA-N
TotalMolweight	385.344
Molweight	385.344
MonoisotopicMass	385.103811
CLogP	3.5247
CLogS	-6.128
H Acceptors	5
H Donors	1
TotalSurfaceArea	285.47
Relative PSA	0.19771
PolarSurfaceArea	64.11
Druglikeness	-6.65
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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