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

Formula:C14H10O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C14H10O3S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c1cccs1
InChI	InChI=1S/C14H10O3S/c15-11(14-2-1-7-18-14)5-3-10-4-6-12-13(8-10)17-9-16-12/h1-8H,9H2
InChIK	KHQKCSLSMCULSA-UHFFFAOYSA-N
TotalMolweight	258.296
Molweight	258.296
MonoisotopicMass	258.035065
CLogP	3.2818
CLogS	-4.561
H Acceptors	3
TotalSurfaceArea	193.47
Relative PSA	0.27601
PolarSurfaceArea	63.77
Druglikeness	2.6781
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
StereoCon

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