(E)-1-(4-chlorophenyl)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-en-1-one

Formula:C16H13O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chlorophenyl)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]prop-2-en-1-one
MolecularFormula	C16H13O3ClS
Smiles	O=C(/C=C/c1c(C2OCCO2)ccs1)c(cc1)ccc1Cl
InChI	InChI=1S/C16H13ClO3S/c17-12-3-1-11(2-4-12)14(18)5-6-15-13(7-10-21-15)16-19-8-9-20-16/h1-7,10,16H,8-9H2
InChIK	PTGGSRHFJQGPLB-UHFFFAOYSA-N
TotalMolweight	320.795
Molweight	320.795
MonoisotopicMass	320.027392
CLogP	3.1321
CLogS	-4.553
H Acceptors	3
TotalSurfaceArea	235.15
Relative PSA	0.22709
PolarSurfaceArea	63.77
Druglikeness	-4.2757
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
StereoCon

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