(E)-1-cyclopenta-1,3-dien-1-yl-3-pyridin-3-ylprop-2-en-1-one

Formula:C13H11NO Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-cyclopenta-1,3-dien-1-yl-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-cyclopenta-1,3-dien-1-yl-3-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C13H11NO
Smiles	O=C(/C=C/c1cnccc1)C1=CC=CC1
InChI	InChI=1S/C13H11NO/c15-13(12-5-1-2-6-12)8-7-11-4-3-9-14-10-11/h1-5,7-10H,6H2
InChIK	AWNJWRIOBOHAPH-UHFFFAOYSA-N
TotalMolweight	197.236
Molweight	197.236
MonoisotopicMass	197.084064
CLogP	1.7729
CLogS	-2.215
H Acceptors	2
TotalSurfaceArea	167.74
Relative PSA	0.14314
PolarSurfaceArea	29.96
Druglikeness	0.5225
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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