(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one

Formula:C19H19N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
MolecularFormula	C19H19N3O3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C19H19N3O3/c23-19(7-5-15-4-6-16-17(13-15)25-14-24-16)22-11-9-21(10-12-22)18-3-1-2-8-20-18/h1-8,13H,9-12,14H2
InChIK	WHDHQNLKKMMVDJ-UHFFFAOYSA-N
TotalMolweight	337.378
Molweight	337.378
MonoisotopicMass	337.142642
CLogP	2.7296
CLogS	-3.484
H Acceptors	6
TotalSurfaceArea	258.43
Relative PSA	0.19777
PolarSurfaceArea	54.9
Druglikeness	5.3191
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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