(E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-bromophenyl)prop-2-en-1-one

Formula:C18H14O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-bromophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-bromophenyl)prop-2-en-1-one
MolecularFormula	C18H14O3Br2
Smiles	O=C(/C=C/c(cc1)ccc1Br)c(cc1OCCCOc1c1)c1Br
InChI	InChI=1S/C18H14Br2O3/c19-13-5-2-12(3-6-13)4-7-16(21)14-10-17-18(11-15(14)20)23-9-1-8-22-17/h2-7,10-11H,1,8-9H2
InChIK	DGFYWCILLRKQBH-UHFFFAOYSA-N
TotalMolweight	438.114
Molweight	438.114
MonoisotopicMass	435.930967
CLogP	5.075
CLogS	-5.96
H Acceptors	3
TotalSurfaceArea	262.31
Relative PSA	0.12596
PolarSurfaceArea	35.53
Druglikeness	-2.1836
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	5
Symmetricatoms	2
StereoCon

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1 - (E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-bromophenyl)prop-2-en-1-one | 2 - (E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-bromophenyl)prop-2-en-1-one

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