(E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one

Formula:C15H11NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C15H11NO3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c1cnccc1
InChI	InChI=1S/C15H11NO3/c17-13(12-2-1-7-16-9-12)5-3-11-4-6-14-15(8-11)19-10-18-14/h1-9H,10H2
InChIK	SWCPAKKAUGIZQP-UHFFFAOYSA-N
TotalMolweight	253.256
Molweight	253.256
MonoisotopicMass	253.073894
CLogP	2.4143
CLogS	-3.756
H Acceptors	4
TotalSurfaceArea	196.29
Relative PSA	0.22421
PolarSurfaceArea	48.42
Druglikeness	0.236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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