3,5-dibromo-2-[(E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid

Formula:C18H8O8Br4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dibromo-2-[(E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid is not a drug-like molecule.

MolName	3,5-dibromo-2-[(E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
MolecularFormula	C18H8O8Br4
Smiles	OC(c1cc(Br)cc(Br)c1OC(/C=C/C(Oc(c(C(O)=O)cc(Br)c1)c1Br)=O)=O)=O
InChI	InChI=1S/C18H8Br4O8/c19-7-3-9(17(25)26)15(11(21)5-7)29-13(23)1-2-14(24)30-16-10(18(27)28)4-8(20)6-12(16)22/h1-6H,(H,25,26)(H,27,28)
InChIK	INZBQWPDNWVYFR-UHFFFAOYSA-N
TotalMolweight	671.87
Molweight	671.87
MonoisotopicMass	667.695264
CLogP	4.843
CLogS	-6.522
H Acceptors	8
H Donors	2
TotalSurfaceArea	337.74
Relative PSA	0.29123
PolarSurfaceArea	127.2
Druglikeness	-8.5377
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	15
AcidicOxygens	2
StereoCon

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