(E)-3-(4-bromophenyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one

Formula:C19H17O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
MolecularFormula	C19H17O3Br
Smiles	O=C(/C=C/c(cc1)ccc1Br)c(cc1)cc2c1OCCCCO2
InChI	InChI=1S/C19H17BrO3/c20-16-7-3-14(4-8-16)5-9-17(21)15-6-10-18-19(13-15)23-12-2-1-11-22-18/h3-10,13H,1-2,11-12H2
InChIK	NNFSYPGQJYAAQX-UHFFFAOYSA-N
TotalMolweight	373.245
Molweight	373.245
MonoisotopicMass	372.036106
CLogP	4.6332
CLogS	-5.396
H Acceptors	3
TotalSurfaceArea	257.44
Relative PSA	0.12834
PolarSurfaceArea	35.53
Druglikeness	-5.8336
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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