(E)-3-pyridin-4-yl-1-[6-[(E)-3-pyridin-4-ylprop-2-enoyl]pyridin-2-yl]prop-2-en-1-one

Formula:C21H15N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-pyridin-4-yl-1-[6-[(E)-3-pyridin-4-ylprop-2-enoyl]pyridin-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-pyridin-4-yl-1-[6-[(E)-3-pyridin-4-ylprop-2-enoyl]pyridin-2-yl]prop-2-en-1-one
MolecularFormula	C21H15N3O2
Smiles	O=C(/C=C/c1ccncc1)c1cccc(C(/C=C/c2ccncc2)=O)n1
InChI	InChI=1S/C21H15N3O2/c25-20(6-4-16-8-12-22-13-9-16)18-2-1-3-19(24-18)21(26)7-5-17-10-14-23-15-11-17/h1-15H
InChIK	HGLOEZLYCREKNY-UHFFFAOYSA-N
TotalMolweight	341.369
Molweight	341.369
MonoisotopicMass	341.116427
CLogP	2.0533
CLogS	-3.727
H Acceptors	5
TotalSurfaceArea	277.56
Relative PSA	0.21253
PolarSurfaceArea	72.81
Druglikeness	0.28859
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	14
Aromatic Nitrogens	3
StereoCon

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