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

Formula:C17H13O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(5-chloro-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
MolecularFormula	C17H13O4Cl
Smiles	Oc(ccc(Cl)c1)c1C(/C=C/c(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C17H13ClO4/c18-12-3-5-15(20)13(10-12)14(19)4-1-11-2-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2
InChIK	RQLWGHAOKXBXSC-UHFFFAOYSA-N
TotalMolweight	316.739
Molweight	316.739
MonoisotopicMass	316.050237
CLogP	3.5429
CLogS	-4.462
H Acceptors	4
H Donors	1
TotalSurfaceArea	233.06
Relative PSA	0.19797
PolarSurfaceArea	55.76
Druglikeness	-6.8665
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
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
StereoCon

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