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

Formula:C18H13O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C18H13O3BrCl2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(cc1OCCCOc1c1)c1Br
InChI	InChI=1S/C18H13BrCl2O3/c19-14-10-18-17(23-6-1-7-24-18)9-13(14)16(22)5-3-11-2-4-12(20)8-15(11)21/h2-5,8-10H,1,6-7H2
InChIK	DWQUIVWMJGKCCP-UHFFFAOYSA-N
TotalMolweight	428.108
Molweight	428.108
MonoisotopicMass	425.94251
CLogP	5.5618
CLogS	-6.598
H Acceptors	3
TotalSurfaceArea	274.52
Relative PSA	0.12036
PolarSurfaceArea	35.53
Druglikeness	-2.0697
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon

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

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