(E)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

Formula:C22H20N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C22H20N3O2Cl
Smiles	O=C(/C=C/c1ccccc1)N(CCCC1)C1c1nc(-c(cc2)ccc2Cl)no1
InChI	InChI=1S/C22H20ClN3O2/c23-18-12-10-17(11-13-18)21-24-22(28-25-21)19-8-4-5-15-26(19)20(27)14-9-16-6-2-1-3-7-16/h1-3,6-7,9-14,19H,4-5,8,15H2/t19-/m0/s1
InChIK	KSXJVDOGVSDNTP-IBGZPJMESA-N
TotalMolweight	393.873
Molweight	393.873
MonoisotopicMass	393.124404
CLogP	4.7684
CLogS	-5.318
H Acceptors	5
TotalSurfaceArea	304
Relative PSA	0.17316
PolarSurfaceArea	59.23
Druglikeness	1.1323
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

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