(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

Formula:C16H10NO3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
MolecularFormula	C16H10NO3F3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(c(F)c1F)ccc1F
InChI	InChI=1S/C16H10F3NO3/c17-10-3-4-11(16(19)15(10)18)20-14(21)6-2-9-1-5-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,20,21)
InChIK	AKSXDJCZQHTMBW-UHFFFAOYSA-N
TotalMolweight	321.253
Molweight	321.253
MonoisotopicMass	321.061278
CLogP	3.5501
CLogS	-5.151
H Acceptors	4
H Donors	1
TotalSurfaceArea	228.04
Relative PSA	0.19514
PolarSurfaceArea	47.56
Druglikeness	-1.8153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
StereoCon

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