4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine

Formula:C14H12N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine is a drug-like molecule.

MolName	4-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]pyridine
MolecularFormula	C14H12N2
Smiles	C(/C=C/c1ccncc1)=C/c1ccncc1
InChI	InChI=1S/C14H12N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h1-12H
InChIK	JWHUNJBKTXKJEQ-UHFFFAOYSA-N
TotalMolweight	208.263
Molweight	208.263
MonoisotopicMass	208.100048
CLogP	2.5214
CLogS	-2.474
H Acceptors	2
TotalSurfaceArea	183.54
Relative PSA	0.11954
PolarSurfaceArea	25.78
Druglikeness	-1.0772
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	10
Aromatic Nitrogens	2
StereoCon

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