3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

Formula:C22H25N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is a drug-like molecule.

MolName	3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
MolecularFormula	C22H25N2O3F3
Smiles	O=C(/C=C/c(c(F)c1F)ccc1F)N(CC1)CCC1N(CC1(CCCCC1)O1)C1=O
InChI	InChI=1S/C22H25F3N2O3/c23-17-6-4-15(19(24)20(17)25)5-7-18(28)26-12-8-16(9-13-26)27-14-22(30-21(27)29)10-2-1-3-11-22/h4-7,16H,1-3,8-14H2
InChIK	YAVIGTHJDRWVAN-UHFFFAOYSA-N
TotalMolweight	422.446
Molweight	422.446
MonoisotopicMass	422.181727
CLogP	3.8356
CLogS	-4.884
H Acceptors	5
TotalSurfaceArea	304.92
Relative PSA	0.14161
PolarSurfaceArea	49.85
Druglikeness	-6.5977
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	4
Amides	2
StereoCon

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