1-[(E)-1-(3-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one

Formula:C19H19N2O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-1-(3-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one is a drug-like molecule.

MolName	1-[(E)-1-(3-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridin-2-one
MolecularFormula	C19H19N2O2Br
Smiles	O=C(/C(/N(C=CC=C1)C1=O)=C\c1cccc(Br)c1)N1CCCCC1
InChI	InChI=1S/C19H19BrN2O2/c20-16-8-6-7-15(13-16)14-17(22-12-5-2-9-18(22)23)19(24)21-10-3-1-4-11-21/h2,5-9,12-14H,1,3-4,10-11H2
InChIK	AXBLZSXYOZAOHE-UHFFFAOYSA-N
TotalMolweight	387.276
Molweight	387.276
MonoisotopicMass	386.062989
CLogP	3.6297
CLogS	-3.914
H Acceptors	4
TotalSurfaceArea	267.5
Relative PSA	0.12404
PolarSurfaceArea	40.62
Druglikeness	-0.25089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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