(E)-3-(7-chloro-4H-1,3-benzodioxin-5-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one

Formula:C17H12O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(7-chloro-4H-1,3-benzodioxin-5-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(7-chloro-4H-1,3-benzodioxin-5-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C17H12O4Cl2
Smiles	Oc(ccc(Cl)c1)c1C(/C=C/c1cc(Cl)cc2c1COCO2)=O
InChI	InChI=1S/C17H12Cl2O4/c18-11-2-4-16(21)13(6-11)15(20)3-1-10-5-12(19)7-17-14(10)8-22-9-23-17/h1-7,21H,8-9H2
InChIK	RZLKOFUCVXQTGI-UHFFFAOYSA-N
TotalMolweight	351.184
Molweight	351.184
MonoisotopicMass	350.011264
CLogP	3.665
CLogS	-5.721
H Acceptors	4
H Donors	1
TotalSurfaceArea	248.48
Relative PSA	0.18569
PolarSurfaceArea	55.76
Druglikeness	0.0089063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon

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