(E)-3-(furan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one

Formula:C17H18N2O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one
MolecularFormula	C17H18N2O2
Smiles	O=C(/C=C/c1ccco1)N(CCCC1)C1c1cnccc1
InChI	InChI=1S/C17H18N2O2/c20-17(9-8-15-6-4-12-21-15)19-11-2-1-7-16(19)14-5-3-10-18-13-14/h3-6,8-10,12-13,16H,1-2,7,11H2/t16-/m0/s1
InChIK	CTEPSPCLFPHDCV-INIZCTEOSA-N
TotalMolweight	282.342
Molweight	282.342
MonoisotopicMass	282.136828
CLogP	2.5311
CLogS	-2.566
H Acceptors	4
TotalSurfaceArea	230.06
Relative PSA	0.18113
PolarSurfaceArea	46.34
Druglikeness	-0.085845
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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