(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one

Formula:C17H12O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C17H12O4ClF
Smiles	Oc(ccc(F)c1)c1C(/C=C/c1c2OCOCc2cc(Cl)c1)=O
InChI	InChI=1S/C17H12ClFO4/c18-12-5-10(17-11(6-12)8-22-9-23-17)1-3-15(20)14-7-13(19)2-4-16(14)21/h1-7,21H,8-9H2
InChIK	PIURPIWMOVRWBZ-UHFFFAOYSA-N
TotalMolweight	334.729
Molweight	334.729
MonoisotopicMass	334.040815
CLogP	3.1598
CLogS	-5.299
H Acceptors	4
H Donors	1
TotalSurfaceArea	239.41
Relative PSA	0.19272
PolarSurfaceArea	55.76
Druglikeness	-1.3311
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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