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

Formula:C24H18O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-chloro-2-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-chloro-2-phenylmethoxyphenyl)prop-2-en-1-one
MolecularFormula	C24H18O4BrCl
Smiles	O=C(/C=C/c1c2OCOCc2cc(Br)c1)c(cc(cc1)Cl)c1OCc1ccccc1
InChI	InChI=1S/C24H18BrClO4/c25-19-10-17(24-18(11-19)14-28-15-30-24)6-8-22(27)21-12-20(26)7-9-23(21)29-13-16-4-2-1-3-5-16/h1-12H,13-15H2
InChIK	PYOQVAGHYZAVES-UHFFFAOYSA-N
TotalMolweight	485.76
Molweight	485.76
MonoisotopicMass	484.007698
CLogP	5.478
CLogS	-7.456
H Acceptors	4
TotalSurfaceArea	328.86
Relative PSA	0.13088
PolarSurfaceArea	44.76
Druglikeness	-1.8315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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