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

Formula:C18H15O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one
MolecularFormula	C18H15O4Cl
Smiles	Oc(cc(cc1)Cl)c1C(/C=C/c(cc1)cc2c1OCCCO2)=O
InChI	InChI=1S/C18H15ClO4/c19-13-4-5-14(16(21)11-13)15(20)6-2-12-3-7-17-18(10-12)23-9-1-8-22-17/h2-7,10-11,21H,1,8-9H2
InChIK	GVOZIOWVTNRWID-UHFFFAOYSA-N
TotalMolweight	330.766
Molweight	330.766
MonoisotopicMass	330.065887
CLogP	3.8849
CLogS	-4.732
H Acceptors	4
H Donors	1
TotalSurfaceArea	246.82
Relative PSA	0.18694
PolarSurfaceArea	55.76
Druglikeness	-0.2189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
StereoCon

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