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

Formula:C24H19O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
MolecularFormula	C24H19O4Br
Smiles	O=C(/C=C/c1c2OCOCc2cc(Br)c1)c(cccc1)c1OCc1ccccc1
InChI	InChI=1S/C24H19BrO4/c25-20-12-18(24-19(13-20)15-27-16-29-24)10-11-22(26)21-8-4-5-9-23(21)28-14-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIK	CUHSIDZBMQFWDJ-UHFFFAOYSA-N
TotalMolweight	451.315
Molweight	451.315
MonoisotopicMass	450.046671
CLogP	4.872
CLogS	-6.72
H Acceptors	4
TotalSurfaceArea	313.44
Relative PSA	0.13731
PolarSurfaceArea	44.76
Druglikeness	-1.937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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