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

Formula:C20H16NO2F7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
MolecularFormula	C20H16NO2F7
Smiles	O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(cc1)ccc1OCCCF
InChI	InChI=1S/C20H16F7NO2/c21-7-1-9-30-17-4-2-13(3-5-17)18(29)6-8-28-16-11-14(19(22,23)24)10-15(12-16)20(25,26)27/h2-6,8,10-12,28H,1,7,9H2
InChIK	FBTDUEWERHXFBD-UHFFFAOYSA-N
TotalMolweight	435.338
Molweight	435.338
MonoisotopicMass	435.106925
CLogP	4.7362
CLogS	-6.005
H Acceptors	3
H Donors	1
TotalSurfaceArea	305.28
Relative PSA	0.11301
PolarSurfaceArea	38.33
Druglikeness	-7.1533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	10
StereoCon

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