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

Formula:C17H13O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-chloro-4H-1,3-benzodioxin-7-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-chloro-4H-1,3-benzodioxin-7-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C17H13O4Cl
Smiles	Oc(cc1)ccc1C(/C=C/c1cc(Cl)c(COCO2)c2c1)=O
InChI	InChI=1S/C17H13ClO4/c18-15-7-11(8-17-14(15)9-21-10-22-17)1-6-16(20)12-2-4-13(19)5-3-12/h1-8,19H,9-10H2
InChIK	FIIDWPDHCKBEKR-UHFFFAOYSA-N
TotalMolweight	316.739
Molweight	316.739
MonoisotopicMass	316.050237
CLogP	3.059
CLogS	-4.985
H Acceptors	4
H Donors	1
TotalSurfaceArea	233.06
Relative PSA	0.19797
PolarSurfaceArea	55.76
Druglikeness	0.0089063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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