bis[2-[2-(2-bromoethoxy)phenoxy]ethyl] (E)-but-2-enedioate

Formula:C24H26O8Br2 Mutagenic:low Tumorigenic:high Reproductive Effective:high bis[2-[2-(2-bromoethoxy)phenoxy]ethyl] (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis[2-[2-(2-bromoethoxy)phenoxy]ethyl] (E)-but-2-enedioate
MolecularFormula	C24H26O8Br2
Smiles	O=C(/C=C/C(OCCOc(cccc1)c1OCCBr)=O)OCCOc(cccc1)c1OCCBr
InChI	InChI=1S/C24H26Br2O8/c25-11-13-29-19-5-1-3-7-21(19)31-15-17-33-23(27)9-10-24(28)34-18-16-32-22-8-4-2-6-20(22)30-14-12-26/h1-10H,11-18H2
InChIK	HBIJEXKUYDILFO-UHFFFAOYSA-N
TotalMolweight	602.27
Molweight	602.27
MonoisotopicMass	599.999442
CLogP	4.1802
CLogS	-4.724
H Acceptors	8
TotalSurfaceArea	402.36
Relative PSA	0.21394
PolarSurfaceArea	89.52
Druglikeness	-19.064
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	prim. alkyl-bromide/iodide
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	18
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	17
StereoCon

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