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

Formula:C18H14O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C18H14O3BrCl
Smiles	O=C(/C=C/c(cc1)ccc1Cl)c(cc1OCCCOc1c1)c1Br
InChI	InChI=1S/C18H14BrClO3/c19-15-11-18-17(22-8-1-9-23-18)10-14(15)16(21)7-4-12-2-5-13(20)6-3-12/h2-7,10-11H,1,8-9H2
InChIK	BVOJLORPCRGAOE-UHFFFAOYSA-N
TotalMolweight	393.663
Molweight	393.663
MonoisotopicMass	391.981483
CLogP	4.9558
CLogS	-5.862
H Acceptors	3
TotalSurfaceArea	259.1
Relative PSA	0.12752
PolarSurfaceArea	35.53
Druglikeness	-2.0697
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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